Faculty of Biology

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Prof. Dr. Elsa Sanchez-Garcia

Biologie / ZMB / Computational Biochemistry

Address
Universitätsstr 2
45117 Essen
Room
T03 R01 D39
Phone
+49 (0)201 183-3839
Fax
+49 (0)201 183-6698
E-Mail
elsa.sanchez-garcia@uni-due.de
Website
https://www.uni-due.de/computational-biochemistry/index.php

Functions

  • Professor/in, Computational Biochemistry

The following publications are listed in the online university bibliography of the University of Duisburg-Essen. Further information may also be found on the person's personal web pages.

    Journal articles

  • Day, Matthew; Tetik, Bilal; Parlak, Milena; Almeida-Hernández, Yasser; Räschle, Markus; Kaschani, Farnusch; Siegert, Heike; Marko, Anika; Sanchez-Garcia, Elsa; Kaiser, Markus; Barker, Isabel A.; Pearl, Laurence H.; Oliver, Antony W.; Boos, Dominik
    TopBP1 utilises a bipartite GINS binding mode to support genome replication
    In: Nature Communications Vol. 15 (2024) Nr. 1, 1797
    Online Full Text: dx.doi.org/; Online Full Text: dx.doi.org/ (Open Access)
  • Cao, Yunjun; Mieres-Perez, Joel; Rowen, Julien Frederic; Sanchez-Garcia, Elsa; Sander, Wolfram; Morgenstern, Karina
    Chirality control of a single carbene molecule by tip-induced van der Waals interactions
    In: Nature Communications Vol. 14 (2023) Nr. 1, 4500
    Online Full Text: dx.doi.org/ (Open Access)
  • Gaonkar, Raghuvir Haridas; Schmidt, Yannik Tim; Mansi, Rosalba; Almeida-Hernandez, Yasser; Sanchez-Garcia, Elsa; Harms, Mirja; Münch, Jan; Fani, Melpomeni
    Development of a New Class of CXCR4-Targeting Radioligands Based on the Endogenous Antagonist EPI-X4 for Oncological Applications
    In: Journal of Medicinal Chemistry Vol. 66 (2023) Nr. 13, pp. 8484 - 8497
    Online Full Text: dx.doi.org/ (Open Access)
  • Shahpasand-Kroner, Hedieh; Siddique, Ibrar; Malik, Ravinder; Linares, Gabriel R.; Ivanova, Magdalena I.; Ichida, Justin; Weil, Tatjana; Müunch, Jan; Sanchez-Garcia, Elsa; Klärner, Frank-Gerrit; Schrader, Thomas; Bitan, Gal; Münch, Jan
    Molecular Tweezers : Supramolecular Hosts with Broad-Spectrum Biological Applications
    In: Pharmacological Reviews Vol. 75 (2023) Nr. 2, pp. 263 - 308
    Online Full Text: dx.doi.org/
  • Neblik, Jonas; Kirupakaran, Abbna; Beuck, Christine; Mieres-Perez, Joel; Niemeyer, Felix; Le, My-Hue; Telgheder, Ursula; Schmuck, Jessica Felice; Dudziak, Alexander; Bayer, Peter; Sanchez-Garcia, Elsa; Westermann, Stefan; Schrader, Thomas
    Multivalent Molecular Tweezers Disrupt the Essential NDC80 Interaction with Microtubules
    In: Journal of the American Chemical Society: JACS Vol. 145 (2023) Nr. 28, pp. 15251 - 15264
    Online Full Text: dx.doi.org/
  • Harms, Mirja; Smith, Nikaïa; Han, Mingyu; Groß, Rüdiger; von Maltitz, Pascal; Stürzel, Christina; Ruiz-Blanco, Yasser B.; Almeida-Hernández, Yasser; Rodriguez-Alfonso, Armando; Cathelin, Dominique; Caspar, Birgit; Tahar, Bouceba; Sayettat, Sophie; Bekaddour, Nassima; Vanshylla, Kanika; Kleipass, Franziska; Wiese, Sebastian; Ständker, Ludger; Klein, Florian; Lagane, Bernard; Boonen, Arnaud; Schols, Dominique; Benichou, Serge; Sanchez-Garcia, Elsa; Herbeuval, Jean-Philippe; Münch, Jan
    Spermine and spermidine bind CXCR4 and inhibit CXCR4- but not CCR5-tropic HIV-1 infection
    In: Science Advances Vol. 9 (2023) Nr. 27, eadf8251
    Online Full Text: dx.doi.org/ (Open Access)
  • Olari, Lia-Raluca; Bauer, Richard; Gil Miró, Marta; Vogel, Verena; Cortez Rayas, Laura; Groß, Rüdiger; Gilg, Andrea; Klevesath, Raphael; Rodríguez Alfonso, Armando A.; Kaygisiz, Kübra; Rupp, Ulrich; Pant, Pradeep; Mieres-Pérez, Joel; Steppe, Lena; Schäffer, Ramona; Rauch-Wirth, Lena; Conzelmann, Carina; Müller, Janis A.; Zech, Fabian; Gerbl, Fabian; Bleher, Jana; Preising, Nico; Ständker, Ludger; Wiese, Sebastian; Thal, Dietmar R.; Haupt, Christian; Jonker, Hendrik R A; Wagner, Manfred; Sanchez-Garcia, Elsa; Weil, Tanja; Stenger, Steffen; Fändrich, Marcus; von Einem, Jens; Read, Clarissa; Walther, Paul; Kirchhoff, Frank; Spellerberg, Barbara; Münch, Jan
    The C-terminal 32-mer fragment of hemoglobin alpha is an amyloidogenic peptide with antimicrobial properties
    In: Cellular and Molecular Life Sciences - CMLS Vol. 80 (2023) Nr. 6, pp. 151
    Online Full Text: dx.doi.org/ (Open Access)
  • Ruiz-Blanco, Yasser B.; Agüero-Chapin, Guillermin; Romero-Molina, Sandra; Antunes, Agostinho; Olari, Lia-Raluca; Spellerberg, Barbara; Münch, Jan; Sanchez-Garcia, Elsa
    ABP-Finder : A Tool to Identify Antibacterial Peptides and the Gram-Staining Type of Targeted Bacteria
    In: Antibiotics Vol. 11 (2022) Nr. 12, 1708
    Online Full Text: dx.doi.org/ (Open Access)
  • Rodríguez-Alfonso, Armando; Heck, Astrid; Ruiz-Blanco, Yasser Bruno; Gilg, Andrea; Ständker, Ludger; Kuan, Seah Ling; Weil, Tanja; Sanchez-Garcia, Elsa; Wiese, Sebastian; Münch, Jan; Harms, Mirja
    Advanced EPI-X4 Derivatives Covalently Bind Human Serum Albumin Resulting in Prolonged Plasma Stability
    In: International Journal of Molecular Sciences (IJMS) Vol. 23 (2022) Nr. 23, 15029
    Online Full Text: dx.doi.org/ (Open Access)
  • Weil, Tatjana; Kirupakaran, Abbna; Le, My-Hue; Rebmann, Philipp; Mieres-Perez, Joel; Issmail, Leila; Conzelmann, Carina; Müller, Janis A.; Rauch, Lena; Gilg, Andrea; Wettstein, Lukas; Groß, Rüdiger; Read, Clarissa; Bergner, Tim; Pålsson, Sandra Axberg; Uhlig, Nadja; Eberlein, Valentina; Wöll, Heike; Klärner, Frank-Gerrit; Stenger, Steffen; Kümmerer, Beate M.; Streeck, Hendrik; Fois, Giorgio; Frick, Manfred; Braubach, Peter; Spetz, Anna-Lena; Grunwald, Thomas; Shorter, James; Sanchez-Garcia, Elsa; Schrader, Thomas; Münch, Jan
    Advanced Molecular Tweezers with Lipid Anchors against SARS-CoV-2 and Other Respiratory Viruses
    In: JACS Au Vol. 2 (2022) Nr. 9, pp. 2187 - 2202
    Online Full Text: dx.doi.org/ (Open Access)
  • Rey, Juliana; Breiden, Maike; Lux, Vanda; Bluemke, Anika; Steindel, Maike; Ripkens, Kamilla; Möllers, Bastian; Bravo Rodriguez, Kenny; Boisguerin, Prisca; Volkmer, Rudolf; Mieres-Perez, Joel; Clausen, Tim; Sánchez-García, Elsa; Ehrmann, Michael
    An allosteric HTRA1-calpain 2 complex with restricted activation profile
    In: Proceedings of the National Academy of Sciences of the United States of America (PNAS) Vol. 119 (2022) Nr. 14, e2113520119
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Harms, Mirja; Hansson, Rikke Fabech; Carmali, Sheiliza; Almeida-Hernández, Yasser; Sanchez-Garcia, Elsa; Münch, Jan; Zelikin, Alexander N.
    Dimerization of the Peptide CXCR4-Antagonist on Macromolecular and Supramolecular Protraction Arms Affords Increased Potency and Enhanced Plasma Stability
    In: Bioconjugate Chemistry Vol. 33 (2022) Nr. 4, pp. 594 - 607
    Online Full Text: dx.doi.org/
  • Ingenbosch, Kim N.; Vieyto-Nuñez, Julio Cesar; Ruiz-Blanco, Yasser B.; Mayer, Christian; Hoffmann-Jacobsen, Kerstin; Sánchez-García, Elsa
    Effect of Organic Solvents on the Structure and Activity of a Minimal Lipase
    In: The Journal of Organic Chemistry Vol. 87 (2022) Nr. 3, pp. 1669 - 1678
    Online Full Text: dx.doi.org/
  • Romero-Molina, Sandra; Ruiz-Blanco, Yasser B.; Mieres-Perez, Joel; Harms, Mirja; Münch, Jan; Ehrmann, Michael; Sanchez-Garcia, Elsa
    PPI-Affinity : A Web Tool for the Prediction and Optimization of Protein-Peptide and Protein-Protein Binding Affinity
    In: Journal of Proteome Research Vol. 21 (2022) Nr. 8, pp. 1829 - 1841
    Online Full Text: dx.doi.org/ (Open Access)
  • Aschmann, Dennis; Vallet, Cecilia; Tripathi, Sunil K.; Ruiz-Blanco, Yasser B.; Brabender, Max; Schmuck, Carsten; Sánchez-García, Elsa; Knauer, Shirley; Giese, Michael
    Selective Disruption of Survivin's Protein-Protein Interactions : A Supramolecular Approach Based on Guanidiniocarbonylpyrrole
    In: ChemBioChem Vol. 23 (2022) Nr. 5, e202100618
    Online Full Text: dx.doi.org/ (Open Access)
  • Samanta, Nirnay; Ruiz-Blanco, Yasser B.; Fetahaj, Zamira; Gnutt, David; Lantz, Carter; Loo, Joseph A.; Sanchez-Garcia, Elsa; Ebbinghaus, Simon
    Superoxide Dismutase 1 Folding Stability as a Target for Molecular Tweezers in SOD1-Related Amyotrophic Lateral Sclerosis
    In: ChemBioChem Vol. 23 (2022) Nr. 21, e202200396
    Online Full Text: dx.doi.org/ (Open Access)
  • Bera, Abhijit; Henkel, Stefan; Mieres-Perez, Joel; Andargie Tsegaw, Yetsedaw; Sanchez-Garcia, Elsa; Sander, Wolfram; Morgenstern, Karina
    Surface Diffusion Aided by a Chirality Change of Self-Assembled Oligomers under 2D Confinement
    In: Angewandte Chemie International Edition Vol. 61 (2022) Nr. 43, e202212245
    Online Full Text: dx.doi.org/ (Open Access)
  • Kosinski, Richard; Perez, Joel Mieres; Schöneweiß, Elisa-C.; Ruiz-Blanco, Yasser B.; Ponzo, Irene; Bravo-Rodriguez, Kenny; Erkelenz, Michael; Schlücker, Sebastian; Uhlenbrock, Guido; Sánchez-García, Elsa; Sacca, Barbara
    The role of DNA nanostructures in the catalytic properties of an allosterically regulated protease
    In: Science Advances Vol. 8 (2022) Nr. 1, abk0425
    Online Full Text: dx.doi.org/ (Open Access)
  • Wettstein, Lukas; Weil, Tatjana; Conzelmann, Carina; Müller, Janis A.; Groß, Rüdiger; Hirschenberger, Maximilian; Seidel, Alina; Klute, Susanne; Zech, Fabian; Prelli Bozzo, Caterina; Preising, Nico; Fois, Giorgio; Lochbaum, Robin; Knaff, Philip Maximilian; Mailänder, Volker; Ständker, Ludger; Thal, Dietmar Rudolf; Schumann, Christian; Stenger, Steffen; Kleger, Alexander; Lochnit, Günter; Mayer, Benjamin; Ruiz-Blanco, Yasser B.; Hoffmann, Markus; Sparrer, Konstantin M. J.; Pöhlmann, Stefan; Sánchez-García, Elsa; Kirchhoff, Frank; Frick, Manfred; Münch, Jan
    Alpha-1 antitrypsin inhibits TMPRSS2 protease activity and SARS-CoV-2 infection
    In: Nature Communications Vol. 12 (2021) Nr. 1, pp. 1726
    Online Full Text: dx.doi.org/ (Open Access)
  • Harms, Mirja; Habib, Monica M.W.; Nemska, Simona; Nicolò, Antonella; Gilg, Andrea; Preising, Nico; Sokkar, Pandian; Carmignani, Sara; Raasholm, Martina; Weidinger, Gilbert; Kizilsavas, Gönül; Wagner, Manfred; Ständker, Ludger; Abadi, Ashraf H.; Jumaa, Hassan; Kirchhoff, Frank; Frossard, Nelly; Sánchez-García, Elsa; Münch, Jan
    An optimized derivative of an endogenous CXCR4 antagonist prevents atopic dermatitis and airway inflammation
    In: Acta Pharmaceutica Sinica B Vol. 11 (2021) Nr. 9, pp. 2694 - 2708
    Online Full Text: dx.doi.org/ (Open Access)
  • Böhm, Miriam; Killinger, Kerstin; Dudziak, Alexander; Pant, Pradeep; Jänen, Karolin; Hohoff, Simone; Mechtler, Karl; Örd, Mihkel; Loog, Mart; Sánchez-García, Elsa; Westermann, Stefan
    Cdc4 phospho-degrons allow differential regulation of ame1ceⁿp⁻u protein stability across the cell cycle
    In: eLife Vol. 10 (2021) e67390
    Online Full Text: dx.doi.org/ (Open Access)
  • Sokkar, Pandian; Harms, Mirja; Stürzel, Christina; Gilg, Andrea; Kizilsavas, Gönül; Raasholm, Martina; Preising, Nico; Wagner, Manfred; Kirchhoff, Frank; Ständker, Ludger; Weidinger, Gilbert; Mayer, Benjamin; Münch, Jan; Sánchez-García, Elsa
    Computational modeling and experimental validation of the EPI-X4/CXCR4 complex allows rational design of small peptide antagonists
    In: Communications Biology Vol. 4 (2021) Nr. 1, 1113
    Online Full Text: dx.doi.org/ (Open Access)
  • Mieres-Perez, Joel; Lucht, Karsten; Trosien, Iris; Sander, Wolfram; Sánchez-García, Elsa; Morgenstern, Karina
    Controlling Reactivity : Real-Space Imaging of a Surface Metal Carbene
    In: Journal of the American Chemical Society: JACS Vol. 143 (2021) Nr. 12, pp. 4653 - 4660
    Online Full Text: dx.doi.org/
  • Malishev, Ravit; Salinas, Nir; Gibson, James; Eden, Angela Bailey; Mieres-Perez, Joel; Ruiz-Blanco, Yasser B.; Malka, Orit; Kolusheva, Sofiya; Klärner, Frank-Gerrit; Schrader, Thomas; Sánchez-García, Elsa; Wang, Chunyu; Landau, Meytal; Bitan, Gal; Jelinek, Raz
    Inhibition of Staphylococcus aureus biofilm-forming functional amyloid by molecular tweezers
    In: Cell Chemical Biology Vol. 28 (2021) Nr. 9, pp. 1310 - 1320.e5
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • König, Gerhard; Sokkar, Pandian; Pryk, Niclas; Heinrich, Sascha; Möller, David; Cimicata, Giuseppe; Matzov, Donna; Dietze, Pascal; Thiel, Walter; Bashan, Anat; Bandow, Julia Elisabeth; Zuegg, Johannes; Yonath, Ada; Schulz, Frank; Sánchez-García, Elsa
    Rational prioritization strategy allows the design of macrolide derivatives that overcome antibiotic resistance
    In: Proceedings of the National Academy of Sciences of the United States of America (PNAS) Vol. 118 (2021) Nr. 46, e2113632118
    Online Full Text: dx.doi.org/ (Open Access)
  • Lohmiller, Thomas; Sarkar, Sujan K.; Tatchen, Jörg; Henkel, Stefan; Schleif, Tim; Savitsky, Anton; Sánchez-García, Elsa; Sander, Wolfram
    Sequential Hydrogen Tunneling in o-Tolylmethylene
    In: Chemistry - A European Journal Vol. 27 (2021) Nr. 71, pp. 17873 - 17879
    Online Full Text: dx.doi.org/ (Open Access)
  • Meiners, Annika; Bäcker, Sandra; Hadrovic, Inesa; Heid, Christian; Beuck, Christine; Ruiz-Blanco, Yasser B.; Mieres-Perez, Joel; Pörschke, Marius; Grad, Jean-Noël; Vallet, Cecilia; Hoffmann, Daniel; Bayer, Peter; Sánchez-García, Elsa; Schrader, Thomas; Knauer, Shirley
    Specific inhibition of the Survivin–CRM1 interaction by peptide-modified molecular tweezers
    In: Nature Communications Vol. 12 (2021) Nr. 1, pp. 1505
    Online Full Text: dx.doi.org/ (Open Access)
  • Groß, Rüdiger; Bauer, Richard; Krüger, Franziska; Rücker-Braun, Elke; Olari, Lia-Raluca; Ständker, Ludger; Preising, Nico; Rodríguez, Armando A.; Conzelmann, Carina; Gerbl, Fabian; Sauter, Daniel; Kirchhoff, Frank; Hagemann, Benjamin; Gačanin, Jasmina; Weil, Tanja; Ruiz-Blanco, Yasser B.; Sánchez-García, Elsa; Forssmann, Wolf-Georg; Mankertz, Annette; Santibanez, Sabine; Stenger, Steffen; Walther, Paul; Wiese, Sebastian; Spellerberg, Barbara; Münch, Jan
    A Placenta Derived C-Terminal Fragment of β-Hemoglobin With Combined Antibacterial and Antiviral Activity
    In: Frontiers in Microbiology Vol. 11 (2020) pp. 508
    Online Full Text: dx.doi.org/ (Open Access)
  • Kuusk, Ave; Neves, Joaõ Filipe; Bravo-Rodriguez, Kenny; Gunnarsson, Anders; Ruiz-Blanco, Yasser B.; Ehrmann, Michael; Chen, Hongming; Landrieu, Isabelle; Sánchez-García, Elsa; Boyd, Helen; Ottmann, Christian; Doveston, Richard G.
    Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σ
    In: ACS Chemical Biology Vol. 15 (2020) Nr. 1, pp. 262 - 271
    Online Full Text: dx.doi.org/ (Open Access)
  • Ruiz-Blanco, Yasser B.; Sánchez-García, Elsa
    CL-FEP: An End-State Free Energy Perturbation Approach
    In: Journal of Chemical Theory and Computation Vol. 16 (2020) Nr. 3, pp. 1396 - 1410
    Online Full Text: dx.doi.org/
  • Schleif, Tim; Tatchen, Jörg; Rowen, Julien F.; Beyer, Frederike; Sánchez-García, Elsa; Sander, Wolfram
    Heavy-Atom Tunneling in Semibullvalenes : How Driving Force, Substituents, and Environment Influence the Tunneling Rates
    In: Chemistry - A European Journal Vol. 26 (2020) Nr. 46, pp. 10452 - 10458
    Online Full Text: dx.doi.org/ (Open Access)
  • Schütz, Desiree; Ruiz-Blanco, Yasser B.; Münch, Jan; Kirchhoff, Frank; Sánchez-García, Elsa; Müller, Janis A.
    Peptide and peptide-based inhibitors of SARS-CoV-2 entry
    In: Advanced Drug Delivery Reviews Vol. 167 (2020) pp. 47 - 65
    Online Full Text: dx.doi.org/ (Open Access)
  • Mieres-Perez, Joel; Sánchez-García, Elsa
    Quantum mechanics/molecular mechanics multiscale modeling of biomolecules
    In: Advances in Physical Organic Chemistry Vol. 54 (2020) pp. 143 - 183
    Online Full Text: dx.doi.org/
  • Holch, Armin; Bauer, Richard; Olari, Lia-Raluca; Rodriguez, Armando A.; Ständker, Ludger; Preising, Nico; Karacan, Merve; Wiese, Sebastian; Walther, Paul; Ruiz-Blanco, Yasser B.; Sánchez-García, Elsa; Schumann, Christian; Münch, Jan; Spellerberg, Barbara
    Respiratory ß-2-Microglobulin exerts pH dependent antimicrobial activity
    In: Virulence Vol. 11 (2020) Nr. 1, pp. 1402 - 1414
    Online Full Text: dx.doi.org/ (Open Access)
  • Weil, Tatjana; Groß, Rüdiger; Röcker, Annika; Bravo-Rodriguez, Kenny; Heid, Christian; Sowislok, Andrea; Le, My-Hue; Erwin, Nelli; Dwivedi, Mridula; Bart, Stephen M.; Bates, Paul; Wettstein, Lukas; Müller, Janis A.; Harms, Mirja; Sparrer, Konstantin; Ruiz-Blanco, Yasser B.; Stürzel, Christina M.; von Einem, Jens; Lippold, Sina; Read, Clarissa; Walther, Paul; Hebel, Marco; Kreppel, Florian; Klärner, Frank-Gerrit; Bitan, Gal; Ehrmann, Michael; Weil, Tanja; Winter, Roland; Schrader, Thomas; Shorter, James; Sánchez-García, Elsa; Münch, Jan
    Supramolecular Mechanism of Viral Envelope Disruption by Molecular Tweezers
    In: Journal of the American Chemical Society: JACS Vol. 142 (2020) Nr. 40, pp. 17024 - 17038
    Online Full Text: dx.doi.org/ (Open Access)
  • Bongard, Jens; Schmitz, Anna Laura; Wolf, Alex; Zischinsky, Gunther; Pieren, Michel; Schellhorn, Birgit; Bravo-Rodriguez, Kenny; Schillinger, Jasmin; Koch, Uwe; Nussbaumer, Peter; Klebl, Bert; Steinmann, Jörg; Buer, Jan; Sánchez-García, Elsa; Ehrmann, Michael; Kaiser, Markus
    Chemical Validation of DegS As a Target for the Development of Antibiotics with a Novel Mode of Action
    In: ChemMedChem Vol. 14 (2019) Nr. 11, pp. 1074 - 1078
    Online Full Text: dx.doi.org/
  • Smith, Nikaïa; Rodero, Mathieu P.; Bekaddour, Nassima; Bondet, Vincent; Ruiz-Blanco, Yasser B.; Harms, Mirja; Mayer, Benjamin; Badder-Meunier, Brigitte; Quartier, Pierre; Bodemer, Christine; Baudouin, Véronique; Dieudonné, Yannick; Kirchhoff, Frank; Sánchez-García, Elsa; Charbit, Bruno; Leboulanger, Nicolas; Jahrsdörfer, Bernd; Richard, Yolande; Korganow, Anne-Sophie; Münch, Jan; Nisole, Sébastien; Duffy, Darragh; Herbeuval, Jean-Philippe
    Control of TLR7-mediated type i IFN signaling in pDCs through CXCR4 engagement - A new target for lupus treatment
    In: Science Advances Vol. 5 (2019) Nr. 7, pp. eaav9019
    Online Full Text: dx.doi.org/ (Open Access)
  • Xu, Jiahui; Mieres-Perez, Joel; Sánchez-García, Elsa; Lee, Jeehiun K.
    Gas-Phase Deprotonation of Benzhydryl Cations : Carbene Basicity, Multiplicity, and Rearrangements
    In: The Journal of Organic Chemistry Vol. 84 (2019) Nr. 12, pp. 7685 - 7693
    Online Full Text: dx.doi.org/
  • Knorr, Johannes; Sokkar, Pandian; Costa, Paolo; Sander, Wolfram; Sánchez-García, Elsa; Nuernberger, Patrick
    How protic solvents determine the reaction mechanisms of diphenylcarbene in solution
    In: The Journal of Organic Chemistry Vol. 84 (2019) Nr. 18, pp. 11450 - 11457
    Online Full Text: dx.doi.org/
  • Bartsch, Lina; Bartel, Maria; Gigante, Alba; Iglesias-Fernández, Javier; Ruiz-Blanco, Yasser B.; Beuck, Christine; Briels, Jeroen; Tötsch, Niklas; Bayer, Peter; Sánchez-García, Elsa; Ottmann, Christian; Schmuck, Carsten
    Multivalent Ligands with Tailor-Made Anion Binding Motif as Stabilizers of Protein–Protein Interactions
    In: ChemBioChem Vol. 20 (2019) Nr. 23, pp. 2921 - 2926
    Online Full Text: dx.doi.org/
  • Romero-Molina, Sandra; Ruiz-Blanco, Yasser B.; Harms, Mirja; Münch, Jan; Sánchez-García, Elsa
    PPI-Detect: A support vector machine model for sequence-based prediction of protein–protein interactions
    In: Journal of Computational Chemistry Vol. 40 (2019) Nr. 11, pp. 1233 - 1242
    Online Full Text: dx.doi.org/
  • Romero-Molina, Sandra; Ruiz-Blanco, Yasser B.; Green, James R.; Sánchez-García, Elsa
    ProtDCal-Suite : A web server for the numerical codification and functional analysis of proteins
    In: Protein Science Vol. 28 (2019) Nr. 9, pp. 1734 - 1743
    Online Full Text: dx.doi.org/ (Open Access)
  • Berger, Nadja; Wollny, Laura J. B.; Sokkar, Pandian; Mittal, Sumit; Mieres-Perez, Joel; Stoll, Raphael; Sander, Wolfram; Sánchez-García, Elsa
    Solvent-Enhanced Conformational Flexibility of Cyclic Tetrapeptides
    In: ChemPhysChem Vol. 20 (2019) Nr. 13, pp. 1664 - 1670
    Online Full Text: dx.doi.org/; Online Full Text: dx.doi.org/ (Open Access)
  • Dirkmann, Michael; Iglesias-Fernández, Javier; Muñoz, Victor; Sokkar, Pandian; Rumancev, Christoph; Gundlach, Andreas von; Krenczyk, Oktavian; Vöpel, Tobias; Nowack, Julia; Schroer, Martin A.; Ebbinghaus, Simon; Herrmann, Christian; Rosenhahn, Axel; Sánchez-García, Elsa; Schulz, Frank
    A Multiperspective Approach to Solvent Regulation of Enzymatic Activity : HMG-CoA Reductase
    In: ChemBioChem Vol. 19 (2018) Nr. 2, pp. 153 - 158
    Online Full Text: dx.doi.org/
  • Shen, Bin; Tatchen, Jörg; Sánchez-García, Elsa; Bettinger, Holger F.
    Evolution of the Optical Gap in the Acene Series : Undecacene
    In: Angewandte Chemie International Edition Vol. 57 (2018) Nr. 33, pp. 10506 - 10509
    Online Full Text: dx.doi.org/
  • Mittal, Sumit; Bravo-Rodriguez, Kenny; Sánchez-García, Elsa
    Mechanism of Inhibition of Beta Amyloid Toxicity by Supramolecular Tweezers
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 122 (2018) Nr. 15, pp. 4196 - 4205
    Online Full Text: dx.doi.org/
  • Zakeri, Banafshe; Niebling, Stephan; Martinéz, A.G.; Sokkar, Pandian; Sánchez-García, Elsa; Schmuck, Carsten; Schlücker, Sebastian
    Molecular recognition of carboxylates in the protein leucine zipper by a multivalent supramolecular ligand : Residue-specific, sensitive and label-free probing by UV resonance Raman spectroscopy
    In: Physical Chemistry, Chemical Physics (PCCP) Vol. 20 (2018) Nr. 3, pp. 1817 - 1820
    Online Full Text: dx.doi.org/
  • Yilmaz, Elvan; Bier, David; Guillory, Xavier; Briels, Jeroen; Ruiz-Blanco, Yasser B.; Sánchez-García, Elsa; Ottmann, Christian; Kaiser, Markus
    Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular “Lysine Wrapping” of Oligoethylene Glycol (OEG) Moieties in Proteins
    In: Chemistry - A European Journal (2018)
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Ehlers, Martin; Grad, Jean-Noël; Mittal, Sumit; Bier, David; Mertel, Marcel; Ohl, Ludwig; Bartel, Maria; Briels, Jeroen; Heimann, Marius; Ottmann, Christian; Sánchez-García, Elsa; Hoffmann, Daniel; Schmuck, Carsten
    Rational Design, Binding Studies, and Crystal-Structure Evaluation of the First Ligand Targeting the Dimerization Interface of the 14-3-3ζ Adapter Protein
    In: ChemBioChem Vol. 19 (2018) Nr. 6, pp. 591 - 595
    Online Full Text: dx.doi.org/
  • Henkel, Stefan; Trosien, Iris; Mieres-Pérez, Joel; Lohmiller, Thomas; Savitsky, Anton; Sánchez-García, Elsa; Sander, Wolfram
    Reactions of Cyclopentadienylidenes with CF₃I: Electron Bond Donation versus Halogen Bond Donation of the Iodine Atom
    In: The Journal of Organic Chemistry Vol. 83 (2018) Nr. 15, pp. 7586 - 7592
    Online Full Text: dx.doi.org/
  • Wagner, Anne S.; Politi, Antonio Z.; Ast, Anne; Bravo-Rodriguez, Kenny; Baum, Katharina; Buntru, Alexander; Strempel, Nadine U.; Brusendorf, Lydia; Hänig, Christian; Boeddrich, Annett; Plassmann, Stephanie; Klockmeier, Konrad; Ramirez-Anguita, Juan M.; Sánchez-García, Elsa; Wolf, Jana; Wanker, Erich E.
    Self-assembly of Mutant Huntingtin Exon-1 Fragments into Large Complex Fibrillar Structures Involves Nucleated Branching
    In: Journal of Molecular Biology (JMB) Vol. 430 (2018) Nr. 12, pp. 1725 - 1744
    Online Full Text: dx.doi.org/ (Open Access)
  • Schulz, Nils; Sokkar, Pandian; Engelage, Elric; Schindler, Severin; Erdelyi, Mate; Sánchez-García, Elsa; Huber, Stefan M.
    The Interaction Modes of Haloimidazolium Salts in Solution
    In: Chemistry - A European Journal Vol. 24 (2018) Nr. 14, pp. 3464 - 3473
    Online Full Text: dx.doi.org/
  • Schulz, Nils; Sokkar, Pandian; Engelage, Elric; Schindler, Severin; Erdelyi, Mate; Sánchez-García, Elsa; Huber, Stefan M.
    The Interaction Modes of Haloimidazolium Salts in Solution (Note)
    In: Chemistry - A European Journal Vol. 24 (2018) Nr. 14, pp. 3344
    Online Full Text: dx.doi.org/ (Open Access)
  • Ganguly, Abir; Luong, Trung Quan; Brylski, Oliver; Dirkmann, Michael; Möller, David; Ebbinghaus, Simon; Schulz, Frank; Winter, Roland; Sánchez-García, Elsa; Thiel, Walter
    Elucidation of the Catalytic Mechanism of a Miniature Zinc Finger Hydrolase
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 121 (2017) Nr. 26, pp. 6390 - 6398
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Vöpel, Tobias; Bravo-Rodriguez, Kenny; Mittal, Sumit; Vachharajani, Shivang; Gnutt, David; Sharma, Abhishek; Steinhof, Anne; Fatoba, Oluwaseun; Ellrichmann, Gisa; Nshanian, Michael; Heid, Christian; Loo, Joseph A.; Klärner, Frank-Gerrit; Schrader, Thomas; Bitan, Gal; Wanker, Erich E.; Ebbinghaus, Simon; Sánchez-García, Elsa
    Inhibition of Huntingtin Exon-1 Aggregation by the Molecular Tweezer CLR01
    In: Journal of the American Chemical Society: JACS Vol. 139 (2017) Nr. 16, pp. 5640 - 5643
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Tsegaw, Yetsedaw A.; Kadam, Pritam E.; Tötsch, Niklas; Sánchez-García, Elsa; Sander, Wolfram
    Is Magnetic Bistability of Carbenes a General Phenomenon? : Isolation of Simple Aryl(trifluoromethyl)carbenes in Both Their Singlet and Triplet States
    In: Journal of the American Chemical Society: JACS Vol. 139 (2017) Nr. 35, pp. 12310 - 12316
    Online Full Text: dx.doi.org/
  • Sprengel, Andreas; Lill, Pascal; Stegemann, Pierre; Bravo-Rodriguez, Kenny; Schöneweiß, Elisa-Charlott; Merdanovic, Melisa; Gudnason, Daniel; Aznauryan, Mikayel; Gamrad, Lisa; Barcikowski, Stephan; Sánchez-García, Elsa; Birkedal, Victoria; Gatsogiannis, Christos; Ehrmann, Michael; Sacca, Barbara
    Tailored protein encapsulation into a DNA host using geometrically organized supramolecular interactions
    In: Nature Communications Vol. 8 (2017) pp. 14472
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Bier, David; Mittal, Sumit; Bravo-Rodriguez, Kenny; Sowislok, Andrea; Guillory, Xavier; Briels, Jeroen; Heid, Christian; Bartel, Maria; Wettig, Burkhard; Brunsveld, Luc; Sánchez-García, Elsa; Schrader, Thomas; Ottmann, Christian
    The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface
    In: Journal of the American Chemical Society: JACS Vol. 139 (2017) Nr. 45, pp. 16256 - 16263
    Online Full Text: dx.doi.org/ (Open Access)
  • Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sánchez-García, Elsa; Nuernberger, Patrick
    Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures
    In: Nature Communications Vol. 7 (2016) pp. 12968
    Online Full Text: dx.doi.org/ (Open Access)
  • Bettinger, Holger F.; Tönshoff, Christina; Doerr, Markus; Sánchez-García, Elsa
    Electronically Excited States of Higher Acenes up to Nonacene: A Density Functional Theory/Multireference Configuration Interaction Study
    In: Journal of Chemical Theory and Computation Vol. 12 (2016) Nr. 1, pp. 305 - 312
    Online Full Text: dx.doi.org/
  • Costa, Paolo; Lohmiller, Thomas; Trosien, Iris; Savitsky, Anton; Lubitz, Wolfgang; Fernandez-Oliva, Miguel; Sánchez-García, Elsa; Sander, Wolfram
    Light and Temperature Control of the Spin State of Bis(p-methoxyphenyl)carbene : A Magnetically Bistable Carbene
    In: Journal of the American Chemical Society: JACS Vol. 138 (2016) Nr. 5, pp. 1622 - 1629
    Online Full Text: dx.doi.org/
  • Trusch, Franziska; Kowski, Klaus; Bravo-Rodriguez, Kenny; Beuck, Christine; Sowislok, Andrea; Wettig, Burkhard; Matena, Anja; Sánchez-García, Elsa; Meyer, Hemmo; Schrader, Thomas; Bayer, Peter
    Molecular tweezers target a protein-protein interface and thereby modulate complex formation
    In: Chemical Communications: ChemComm Vol. 52 (2016) Nr. 98, pp. 14141 - 14144
    Online Full Text: dx.doi.org/ (Open Access)
  • Arumughan, Anup; Roske, Yvette; Barth, Carolin; Forero, Laura Lleras; Bravo-Rodriguez, Kenny; Redel, Alexandra; Kostova, Simona; McShane, Erik; Opitz, Robert; Faelber, Katja; Rau, Kirstin; Mielke, Thorsten; Daumke, Oliver; Selbach, Matthias; Sánchez-García, Elsa; Rocks, Oliver; Panáková, Daniela; Heinemann, Udo; Wanker, Erich E.
    Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers
    In: Nature Communications Vol. 7 (2016) pp. 13047
    Online Full Text: dx.doi.org/ (Open Access)
  • Henkel, Stefan; Costa, Paolo; Klute, Linda; Sokkar, Pandian; Fernandez-Oliva, Miguel; Thiel, Walter; Sánchez-García, Elsa; Sander, Wolfram
    Switching the Spin State of Diphenylcarbene via Halogen Bonding
    In: Journal of the American Chemical Society: JACS Vol. 138 (2016) Nr. 5, pp. 1689 - 1697
    Online Full Text: dx.doi.org/
  • Lump, Edina; Castellano, Laura M.; Meier, Christoph; Seeliger, Janine; Erwin, Nelli; Sperlich, Benjamin; Stürzel, Christina M.; Usmani, Shariq; Hammond, Rebecca M.; Einem, Jens von; Gerold, Gisa; Kreppel, Florian; Bravo-Rodriguez, Kenny; Pietschmann, Thomas; Holmes, Veronica M.; Palesch, David; Zirafi, Onofrio; Weissman, Drew; Sowislok, Andrea; Wettig, Burkhard; Heid, Christian; Kirchhoff, Frank; Weil, Tanja; Klärner, Frank-Gerrit; Schrader, Thomas; Bitan, Gal; Sánchez-García, Elsa; Winter, Roland; Shorter, James; Munch, Jan
    A molecular tweezer antagonizes seminal amyloids and HIV infection
    In: eLife Vol. 4 (2015) Nr. 8, pp. e05397
    Online Full Text: dx.doi.org/ (Open Access)
  • Martinez Gonzalez, Marco; Bravo-Rodriguez, Kenny; Suardiaz, Reynier; Garcia de la Vega, José Manuel; Montero, Luis Alberto; Sánchez-García, Elsa; Crespo-Otero, Rachel
    Complexes of nitric oxide with water and imidazole
    In: Theoretical Chemistry Accounts Vol. 134 (2015) Nr. 7, pp. 88
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Klopries, Stephan; Bravo-Rodriguez, Kenny; Koopmans, Kyra R.M.; Sundermann, Uschi; Yahiaoui, Samir; Arens, Julia; Kushnir, Susanna; Sánchez-García, Elsa; Schulz, Frank
    Data in support of substrate flexibility of a mutated acyltransferase domain and implications for polyketide biosynthesis
    In: Data in Brief Vol. 5 (2015) pp. 528 - 536
    Online Full Text: dx.doi.org/ (Open Access)
  • Sokkar, Pandian; Boulanger, Eliot; Thiel, Walter; Sánchez-García, Elsa
    Hybrid quantum mechanics/molecular mechanics/coarse grained modeling : A triple-resolution approach for biomolecular systems
    In: Journal of Chemical Theory and Computation Vol. 11 (2015) Nr. 4, pp. 1809 - 1818
    Online Full Text: dx.doi.org/
  • Lopes, Dahabada H. J.; Attar, Aida; Nair, Gayatri; Hayden, Eric Y.; Du, Zhenming; McDaniel, Kirsten; Dutt, Som; Bandmann, Heinz; Bravo-Rodriguez, Kenny; Mittal, Sumit; Klärner, Frank-Gerrit; Wang, Chunyu; Sánchez-García, Elsa; Schrader, Thomas; Bitan, Gal
    Molecular tweezers inhibit islet amyloid polypeptide assembly and toxicity by a new mechanism
    In: ACS Chemical Biology Vol. 10 (2015) Nr. 6, pp. 1555 - 1569
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Bravo-Rodriguez, Kenny; Klopries, Stephan; Koopmans, Kyra R.M.; Sundermann, Uschi; Yahiaoui, Samir; Arens, Julia; Kushnir, Susanna; Schulz, Frank; Sánchez-García, Elsa
    Substrate Flexibility of a Mutated Acyltransferase Domain and Implications for Polyketide Biosynthesis
    In: Chemistry and Biology Vol. 22 (2015) Nr. 11, pp. 1425 - 1430
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Costa, Paolo; Trosien, Iris; Fernandez-Oliva, Miguel; Sánchez-García, Elsa; Sander, Wolfram
    The Fluorenyl Cation
    In: Angewandte Chemie International Edition Vol. 54 (2015) Nr. 9, pp. 2656 - 2660
    Online Full Text: dx.doi.org/
  • Hanke, Kenny; Kaufmann, Matin; Schwaab, Gerhard; Havenith, Martina; Wolke, Conrad T.; Gorlova, Olga; Johnson, Mark A.; Kar, Bishnu Prasad; Sander, Wolfram; Sánchez-García, Elsa
    Understanding the ionic liquid [NC₄₁₁₁][NTf₂] from individual building blocks : An IR-spectroscopic study
    In: Physical Chemistry, Chemical Physics (PCCP) Vol. 17 (2015) Nr. 13, pp. 8518 - 8529
    Online Full Text: dx.doi.org/
  • Klopries, Stephan; Koopmans, Kyra R. M.; Sánchez-García, Elsa; Schulz, Frank
    Biosynthesis with fluorine
    In: ChemBioChem Vol. 15 (2014) Nr. 4, pp. 495 - 497
    Online Full Text: dx.doi.org/
  • Crespo-Otero, Rachel; Mardykov, Artur; Sánchez-García, Elsa; Sander, Wolfram; Barbatti, Mario
    Photo-stability of peptide-bond aggregates: N-methylformamide dimers
    In: Physical Chemistry, Chemical Physics (PCCP) Vol. 16 (2014) Nr. 35, pp. 18877 - 18887
    Online Full Text: dx.doi.org/
  • Bravo-Rodriguez, Kenny; Ismail-Ali, Ahmed F.; Klopries, Stephan; Kushnir, Susanna; Ismail, Shehab; Fansa, Eyad K.; Wittinghofer, Alfred; Schulz, Frank; Sánchez-García, Elsa
    Predicted incorporation of non-native substrates by a polyketide synthase yields bioactive natural product derivatives
    In: ChemBioChem Vol. 15 (2014) Nr. 13, pp. 1991 - 1997
    Online Full Text: dx.doi.org/
  • Merten, Christian; Li, Fee; Bravo-Rodriguez, Kenny; Sánchez-García, Elsa; Xu, Yunjie; Sander, Wolfram
    Solvent-induced conformational changes in cyclic peptides : A vibrational circular dichroism study
    In: Physical Chemistry, Chemical Physics (PCCP) Vol. 16 (2014) Nr. 12, pp. 5627 - 5633
    Online Full Text: dx.doi.org/ (Open Access)
  • Sander, Wolfram; Roy, Saonli; Bravo-Rodriguez, Kenny; Grote, Dirk; Sánchez-García, Elsa
    The benzylperoxyl radical as a source of hydroxyl and phenyl radicals
    In: Chemistry - A European Journal Vol. 20 (2014) Nr. 40, pp. 12917 - 12923
    Online Full Text: dx.doi.org/
  • Costa, Paolo; Fernandez-Oliva, Miguel; Sánchez-García, Elsa; Sander, Wolfram
    The highly reactive benzhydryl cation isolated and stabilized in water ice
    In: Journal of the American Chemical Society: JACS Vol. 136 (2014) Nr. 44, pp. 15625 - 15630
    Online Full Text: dx.doi.org/
  • Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W.; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sánchez-García, Elsa; Sander, Wolfram
    Conformation and dynamics of a cyclic disulfide-bridged peptide : Effects of temperature and solvent
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 117 (2013) Nr. 13, pp. 3560 - 3570
    Online Full Text: dx.doi.org/
  • Hernández-Rodríguez, Erix Wiliam; Montero-Alejo, Ana Lilian; Lõpez, Rafael; Sánchez-García, Elsa; Montero-Cabrera, Luis Alberto; García De La Vega, José Manuel
    Electron density deformations provide new insights into the spectral shift of rhodopsins
    In: Journal of Computational Chemistry Vol. 34 (2013) Nr. 28, pp. 2460 - 2471
    Online Full Text: dx.doi.org/
  • Sundermann, Uschi; Bravo-Rodriguez, Kenny; Klopries, Stephan; Kushnir, Susanna; Gomez, Hansel; Sánchez-García, Elsa; Schulz, Frank
    Enzyme-directed mutasynthesis : A combined experimental and theoretical approach to substrate recognition of a polyketide synthase
    In: ACS Chemical Biology Vol. 8 (2013) Nr. 2, pp. 443 - 450
    Online Full Text: dx.doi.org/
  • Crespo-Otero, Rachel; Bravo-Rodriguez, Kenny; Roy, Saonli; Benighaus, Tobias; Thiel, Walter; Sander, Wolfram; Sánchez-García, Elsa
    Interactions of aromatic radicals with water
    In: ChemPhysChem Vol. 14 (2013) Nr. 4, pp. 805 - 811
    Online Full Text: dx.doi.org/
  • Dutt, Som; Schrader, Thomas; Klärner, Frank-Gerrit; Ochsenfeld, Christian; Sánchez-García, Elsa; Hanni, Matti; Bravo-Rodriguez, Kenny; Talbiersky, Peter; Gersthagen, Thomas; Wilch, Constanze
    Molecular Tweezers with Varying Anions : A Comparative Study
    In: The Journal of Organic Chemistry Vol. 78 (2013) Nr. 13, pp. 6721 - 6734
    Online Full Text: dx.doi.org/
  • Bier, David; Ottmann, Christian; Schrader, Thomas; Sánchez-García, Elsa; Klärner, Frank-Gerrit; Wilch, Constanze; Dutt, Som; Ramirez-Anguita, Juan Manuel; Bartels, Maria; Bravo-Rodriguez, Kenny; Rose, Rolf
    Molecular tweezers modulate 14-3-3 protein–protein interactions
    In: Nature Chemistry Vol. 5 (2013) Nr. 3, pp. 234 - 239
    Online Full Text: dx.doi.org/
  • Crespo-Otero, Rachel; Mardyukov, Artur; Sánchez-García, Elsa; Barbatti, Mario; Sander, Wolfram
    Photochemistry of N-methylformamide : Matrix isolation and nonadiabatic dynamics
    In: ChemPhysChem Vol. 14 (2013) Nr. 4, pp. 827 - 836
    Online Full Text: dx.doi.org/
  • Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sánchez-García, Elsa
    Stereochemistry rules : A single stereocenter changes the conformation of a cyclic tetrapeptide
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 117 (2013) Nr. 37, pp. 10785 - 10791
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Jansen, Georg
    Competition between H···π and H···O interactions in furan heterodimers
    In: Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols Vol. 116 (2012) Nr. 23, pp. 5689 - 5697
    Online Full Text: dx.doi.org/
  • Sander, Wolfram; Roy, Saonli; Polyak, Iakov; Ramirez-Anguita, Juan Manuel; Sánchez-García, Elsa
    The Phenoxyl Radical–Water Complex : A Matrix Isolation and Computational Study
    In: Journal of the American Chemical Society: JACS Vol. 134 (2012) Nr. 19, pp. 8222 - 8230
    Online Full Text: dx.doi.org/
  • Hernández-Rodríguez, Erix Wiliam; Sánchez-García, Elsa; Crespo-Otero, Rachel; Montero-Alejo, Ana Lilian; Montero, Luis Alberto; Thiel, Walter
    Understanding rhodopsin mutations linked to the Retinitis pigmentosa disease : A QM/MM and DFT/MRCI study
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 116 (2012) Nr. 3, pp. 1060 - 1076
    Online Full Text: dx.doi.org/
  • Metzelthin, Anja; Sánchez-García, Elsa; Birer, A. Özgür; Schwaab, Gerhard; Thiel, Walter; Sander, Wolfram; Havenith, Martina
    Acetylene⋅⋅⋅Furan Trimer Formation at 0.37 K as a Model for Ultracold Aggregation of Non- and Weakly Polar Molecules
    In: ChemPhysChem Vol. 12 (2011) Nr. 10, pp. 2009 - 2017
    Online Full Text: dx.doi.org/
  • Mardyukov, Artur; Crespo-Otero, Rachel; Sánchez-García, Elsa; Sander, Wolfram
    Photochemistry and reactivity of the phenyl radical-water system : A matrix isolation and computational study
    In: Chemistry - A European Journal Vol. 16 (2010) Nr. 29, pp. 8679 - 8689
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Doerr, Markus; Thiel, Walter
    QM/MM study of the absorption spectra of DsRed.M1 chromophores
    In: Journal of Computational Chemistry Vol. 31 (2010) Nr. 8, pp. 1603 - 1612
    Online Full Text: dx.doi.org/
  • Hsiao, Ya-Wen; Sánchez-García, Elsa; Doerr, Markus; Thiel, Walter
    Quantum Refinement of Protein Structures : Implementation and Application to the Red Fluorescent Protein DsRed.M1
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 114 (2010) Nr. 46, pp. 15413 - 15423
    Online Full Text: dx.doi.org/
  • Bettinger, Holger F.; Kar, Tapas; Sánchez-García, Elsa
    Borazine and Benzene Homo- and Heterodimers
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 113 (2009) Nr. 14, pp. 3353 - 3359
    Online Full Text: dx.doi.org/
  • Mardyukov, Artur; Sánchez-García, Elsa; Crespo-Otero, Rachel; Sander, Wolfram
    Interaction and Reaction of the Phenyl Radical with Water : A Source of OH Radicals
    In: Angewandte Chemie International Edition Vol. 48 (2009) Nr. 26, pp. 4804 - 4807
    Online Full Text: dx.doi.org/
  • Mardyukov, Artur; Sánchez-García, Elsa; Sander, Wolfram
    Matrix isolation and Ab initio study of the noncovalent complexes between formamide and acetylene
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 113 (2009) Nr. 6, pp. 1086 - 1095
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Doerr, Markus; Hsiao, Ya-Wen; Thiel, Walter
    QM/MM study of the monomeric red fluorescent protein DsRed.M1
    In: Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical Chemistry Vol. 113 (2009) Nr. 52, pp. 16622 - 16631
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Mardyukov, Artur; Tekin, Adem; Crespo-Otero, Rachel; Montero, Luis A.; Sander, Wolfram; Jansen, Georg
    Ab initio and matrix isolation study of the acetylene-furan dimer
    In: Chemical Physics Vol. 343 (2008) Nr. 2-3, pp. 168 - 185
    Online Full Text: dx.doi.org/
  • Metzelthin, Anja; Birer, Özgür; Sánchez-García, Elsa; Havenith, Martina
    High resolution IR spectroscopy of acetylene-furan in ultracold helium nanodroplets
    In: The Journal of Chemical Physics (JCP) Vol. 129 (2008) Nr. 11, 114307
    Online Full Text: dx.doi.org/ (Open Access)
  • Crespo-Otero, Rachel; Sánchez-García, Elsa; Suardíaz, Reynier; Montero, Luis A.; Sander, Wolfram
    Interactions between simple radicals and water
    In: Chemical Physics Vol. 353 (2008) Nr. 1-3, pp. 193 - 201
    Online Full Text: dx.doi.org/
  • Mardyukov, Artur; Sánchez-Garcia, Elsa; Rodziewicz, Pawel; Doltsinis, Nikos L.; Sander, Wolfram
    Formamide Dimers : A Computational and Matrix Isolation Study
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 111 (2007) Nr. 42, pp. 10552 - 10561
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Montero, Luis A.; Sander, Wolfram
    Computational Study of Noncovalent Complexes between Formamide and Formic Acid
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 110 (2006) Nr. 46, pp. 12613 - 12622
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Mardyukov, Arthur; Studentkowski, Marc; Montero, Luis A.; Sander, Wolfram
    Furan - Formic acid dimers : An ab initio and matrix isolation study
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 110 (2006) Nr. 51, pp. 13775 - 13785
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Montero, Luis A.
    Análisis de semejanza en las asociaciones moleculares de la amilosa con algunos compuestos organolépticos
    In: Revista Cubana de Fisica Vol. 22 (2005) Nr. 2, pp. 73 - 80
    Online Full Text (Open Access)
  • Sánchez-García, Elsa; Studentkowski, Marc; Montero, Luis A.; Sander, Wolfram
    Noncovalent Complexes between Dimethyl Ether and Formic Acid : An Ab Initio and Matrix Isolation Study
    In: ChemPhysChem Vol. 6 (2005) Nr. 4, pp. 618 - 624
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; George, Lisa; Montero, Luis A.; Sander, Wolfram
    1:2 Formic Acid/Acetylene Complexes : Ab Initio and Matrix Isolation Studies of Weakly Interacting Systems
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 108 (2004) Nr. 52, pp. 11846 - 11854
    Online Full Text: dx.doi.org/
  • George, Lisa; Sánchez-García, Elsa; Sander, Wolfram
    Matrix Isolation Infrared and ab Initio Study of Formic Acid−Acetylene Interaction : Example of H···π and C−H···O Interaction
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 107 (2003) Nr. 35, pp. 6850 - 6858
    Online Full Text: dx.doi.org/
  • Sánchez-García, Elsa; Montero, Luis A.; Hermida, Jose M.; Cruz, Roberto; Gonzalez, Gerardo
    Calculo de la Energia de Asociación en Clústers de Acetona Mediante la Aproximación de la Hipersuperficie de Múltiples Minimos
    In: Revista Cubana de Física Vol. 17 (2000) Nr. 1-2, pp. 41 - 46
    Online Full Text (Open Access)

    • Prefaces/Postfaces

  • Schleif, Tim; Tatchen, Jörg; Rowen, Julien F.; Beyer, Frederike; Sánchez-García, Elsa; Sander, Wolfram
    Heavy-Atom Tunneling in Semibullvalenes : How Driving Force, Substituents, and Environment Influence the Tunneling Rates
    In: Chemistry - A European Journal Vol. 26 (2020) Nr. 46, pp. 10366
    Online Full Text: dx.doi.org/ (Open Access)

    • Abstracts

  • Bravo-Rodriguez, Kenny; Mittal, Sumit; Sánchez-García, Elsa
    Computational approach to the regulation of protein-protein interactions by molecular tweezers
    In: ACS National Meeting / American Chemical Society Vol. 256 (2018) pp. 491
  • Mieres-Perez, Joel; Sokkar, Pandian; Tatchen, Jörg; Sánchez-García, Elsa
    Dynamics simulations of reactive intermediates : From cryogenic matrices to co-solvents
    In: ACS National Meeting / American Chemical Society Vol. 256 (2018) pp. 187