ZMB Member Elsa Sánchez-García

Elsa Sánchez-García

Prof. Dr. Elsa Sánchez-García

Phone
+49 201 183 3839
Email

 
Fakultät für Biologie
Room T03 R01 D39
Universität Duisburg-Essen
45117 Essen

Department

Computational Biochemistry

Research Overview

Our research focuses on the development and application of theoretical approaches to investigate the structural properties and reactivity of complex chemical and biological systems. We implement computational tools and models to study enzymatic activity, protein-protein and protein-ligand interactions. Solvent effects and transient species are also at the center of our interest. On the methodological side, we develop and apply QM-based multiscale approaches, methods for ligand design and optimization as well as theoretical tools for understanding and tuning the reactivity of short-lived intermediates.

    2020

  • 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; Sanchez-Garcia, Elsa; Münch, Jan
    Supramolecular Mechanism of Viral Envelope Disruption by Molecular Tweezers
    In: Journal of the American Chemical Society Vol. 142 (2020) Nr. 40, pp. 17024 - 17038
    ISSN: 1520-5126; 0002-7863
    Online Full Text: dx.doi.org/
  • Schleif, Tim; Tatchen, Jörg; Rowen, Julien F.; Beyer, Frederike; Sanchez-Garcia, 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
    ISSN: 1521-3765; 0947-6539
    Online Full Text: dx.doi.org/ (Open Access)
  • Ruiz-Blanco, Yasser B.; Sanchez-Garcia, 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
    ISSN: 1549-9626; 1549-9618
    Online Full Text: dx.doi.org/
  • 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.; Sanchez-Garcia, 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
    ISSN: 1664-302X
    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; Sanchez-Garcia, 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
    ISSN: 1554-8929
    Online Full Text: dx.doi.org/ (Open Access)
  • Mieres-Perez, Joel; Sanchez-Garcia, Elsa
    Quantum mechanics/molecular mechanics multiscale modeling of biomolecules
    In: Advances in Physical Organic Chemistry Vol. 54 (2020) pp. 143 - 183
    ISSN: 0065-3160
    Online Full Text: dx.doi.org/
  • Schleif, Tim; Tatchen, Jörg; Rowen, Julien F.; Beyer, Frederike; Sanchez-Garcia, 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
    ISSN: 1521-3765; 0947-6539
    Online Full Text: dx.doi.org/ (Open Access)
  • Holch, Armin; Bauer, Richard; Olari, Lia-Raluca; Rodriguez, Armando A.; Ständker, Ludger; Preising, Nico; Karacan, Merve; Wiese, Sebastian; Walther, Paul; Ruiz-Blanco, Yasser B.; Sanchez-Garcia, 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
    ISSN: 2150-5608; 2150-5594
    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; Sanchez-Garcia, Elsa; Münch, Jan
    An optimized derivative of an endogenous CXCR4 antagonist prevents atopic dermatitis and airway inflammation
    In: Acta pharmaceutica Sinica: B (2020) in press
    ISSN: 2211-3843; 2211-3835
    Online Full Text: dx.doi.org/ (Open Access)
  • Schütz, Desiree; Ruiz-Blanco, Yasser B.; Münch, Jan; Kirchhoff, Frank; Sanchez-Garcia, 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
    ISSN: 1872-8294; 0169-409X
    Online Full Text: dx.doi.org/ (Open Access)

    • 2019

  • 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; Sanchez-Garcia, 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
    ISSN: 1860-7187; 1860-7179
    Online Full Text: dx.doi.org/
  • Xu, Jiahui; Mieres-Perez, Joel; Sanchez-Garcia, Elsa; Lee, Jeehiun K.
    Gas-Phase Deprotonation of Benzhydryl Cations : Carbene Basicity, Multiplicity, and Rearrangements
    In: The Journal of Organic Chemistry (2019)
    ISSN: 1520-6904; 0022-3263
    Online Full Text: dx.doi.org/
  • Berger, Nadja; Wollny, Laura J. B.; Sokkar, Pandian; Mittal, Sumit; Mieres-Perez, Joel; Stoll, Raphael; Sander, Wolfram; Sanchez-Garcia, Elsa
    Solvent-enhanced conformational flexibility of cyclic tetrapeptides
    In: ChemPhysChem Vol. 20 (2019) Nr. 13, pp. 1664 - 1670
    ISSN: 1439-7641; 1439-4235
    Online Full Text: dx.doi.org/
  • Knorr, Johannes; Sokkar, Pandian; Costa, Paolo; Sander, Wolfram; Sanchez-Garcia, 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
    ISSN: 1520-6904; 0022-3263
    Online Full Text: dx.doi.org/
  • Romero-Molina, Sandra; Ruiz-Blanco, Yasser B.; Green, James R.; Sanchez-Garcia, 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
    ISSN: 1469-896X; 0961-8368
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • 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; Sanchez-Garcia, Elsa; Charbit1, 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
    ISSN: 2375-2548
    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; Sanchez-Garcia, Elsa
    Solvent-Enhanced Conformational Flexibility of Cyclic Tetrapeptides
    In: ChemPhysChem Vol. 20 (2019) Nr. 13, pp. 1664 - 1670
    ISSN: 1439-7641; 1439-4235
    Online Full Text: dx.doi.org/
  • Romero-Molina, Sandra; Ruiz-Blanco, Yasser B.; Harms, Mirja; Münch, Jan; Sanchez-Garcia, Elsa
    PPI-Detect: A support vector machine model for sequence-based prediction of protein–protein interactions
    In: Journal of Computational Chemistry (2019)
    ISSN: 1096-987X; 0192-8651
    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; Sanchez-Garcia, 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
    ISSN: 1439-7633; 1439-4227
    Online Full Text: dx.doi.org/

    • 2018

  • 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.; Sanchez-Garcia, 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 Vol. 430 (2018) Nr. 12, pp. 1725 - 1744
    ISSN: 1089-8638; 0022-2836
    Online Full Text: dx.doi.org/ (Open Access)
  • Shen, Bin; Tatchen, Jörg; Sanchez-Garcia, 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
    ISSN: 1521-3773; 1433-7851
    Online Full Text: dx.doi.org/
  • Schulz, Nils; Sokkar, Pandian; Engelage, Elric; Schindler, Severin; Erdelyi, Mate; Sanchez-Garcia, 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
    ISSN: 0947-6539; 1521-3765
    Online Full Text: dx.doi.org/
  • 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; Sanchez-Garcia, 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
    ISSN: 1439-4227; 1439-7633
    Online Full Text: dx.doi.org/
  • Ehlers, Martin; Grad, Jean-Noël; Mittal, Sumit; Bier, David; Mertel, Marcel; Ohl, Ludwig; Bartel, Maria; Briels, Jeroen; Heimann, Marius; Ottmann, Christian; Sanchez-Garcia, 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
    ISSN: 1439-4227; 1439-7633
    Online Full Text: dx.doi.org/
  • Henkel, Stefan; Trosien, Iris; Mieres-Pérez, Joel; Lohmiller, Thomas; Savitsky, Anton; Sanchez-Garcia, 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
    ISSN: 1520-6904; 0022-3263
    Online Full Text: dx.doi.org/
  • Bravo-Rodriguez, Kenny; Mittal, Sumit; Sanchez-Garcia, Elsa
    Computational approach to the regulation of protein-protein interactions by molecular tweezers
    In: Abstracts of papers / American Chemical Society Vol. 256 (2018) pp. 491
    ISSN: 0065-7727
  • Mieres-Perez, Joel; Sokkar, Pandian; Tatchen, Jörg; Sanchez-Garcia, Elsa
    Dynamics simulations of reactive intermediates : From cryogenic matrices to co-solvents
    In: Abstracts of papers / American Chemical Society Vol. 256 (2018) pp. 187
    ISSN: 0065-7727
  • Schulz, Nils; Sokkar, Pandian; Engelage, Elric; Schindler, Severin; Erdelyi, Mate; Sanchez-Garcia, 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
    ISSN: 0947-6539; 1521-3765
    Online Full Text: dx.doi.org/
  • Yilmaz, Elvan; Bier, David; Guillory, Xavier; Briels, Jeroen; Ruiz-Blanco, Yasser B.; Sanchez-Garcia, 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)
    ISSN: 0947-6539; 1521-3765
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Zakeri, Banafshe; Niebling, S.; Martinéz, A.G.; Sokkar, Pandian; Sanchez-Garcia, 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 Vol. 20 (2018) Nr. 3, pp. 1817 - 1820
    ISSN: 1463-9076; 1463-9084
    Online Full Text: dx.doi.org/
  • Mittal, Sumit; Bravo-Rodriguez, Kenny; Sanchez-Garcia, 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
    ISSN: 1520-6106; 1089-5647; 1520-5207
    Online Full Text: dx.doi.org/

    • 2017

  • Tsegaw, Yetsedaw A.; Kadam, Pritam E.; Tötsch, Niklas; Sanchez-Garcia, 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 Vol. 139 (2017) Nr. 35, pp. 12310 - 12316
    ISSN: 0002-7863; 1520-5126
    Online Full Text: dx.doi.org/
  • 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; Sanchez-Garcia, Elsa
    Inhibition of Huntingtin Exon-1 Aggregation by the Molecular Tweezer CLR01
    In: Journal of the American Chemical Society Vol. 139 (2017) Nr. 16, pp. 5640 - 5643
    ISSN: 0002-7863; 1520-5126
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Sprengel, Andreas; Lill, Pascal; Stegemann, Pierre; Bravo-Rodriguez, Kenny; Schöneweiß, Elisa-Charlott; Merdanovic, Melisa; Gudnason, Daniel; Aznauryan, Mikayel; Gamrad; Barcikowski, Stephan; Sanchez-Garcia, 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
    ISSN: 2041-1723
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • Ganguly, Abir; Luong, Trung Quan; Brylski, Oliver; Dirkmann, Michael; Möller, David; Ebbinghaus, Simon; Schulz, Frank; Winter, Roland; Sanchez-Garcia, 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
    ISSN: 1520-6106; 1089-5647; 1520-5207
    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; Sanchez-Garcia, Elsa; Schrader, Thomas; Ottmann, Christian
    The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface
    In: Journal of the American Chemical Society Vol. 139 (2017) Nr. 45, pp. 16256 - 16263
    ISSN: 0002-7863; 1520-5126
    Online Full Text: dx.doi.org/ (Open Access)

    • 2016

  • Trusch, Franziska; Kowski, Klaus; Bravo-Rodriguez, Kenny; Beuck, Christine; Sowislok, Andrea; Wettig, Burkhard; Matena, Anja; Sanchez-Garcia, Elsa; Meyer, Hemmo; Schrader, Thomas; Bayer, Peter
    Molecular tweezers target a protein-protein interface and thereby modulate complex formation
    In: Chemical Communications Vol. 52 (2016) Nr. 98, pp. 14141 - 14144
    ISSN: 1364-548X; 0009-241X; 0022-4936; 1359-7345
    Online Full Text: dx.doi.org/ (Open Access)
  • Bettinger, Holger F.; Tönshoff, Christina; Doerr, Markus; Sanchez-Garcia, 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
    ISSN: 1549-9626; 1549-9618
    Online Full Text: dx.doi.org/
  • Henkel, Stefan; Costa, Paolo; Klute, Linda; Sokkar, Pandian; Fernandez-Oliva, Miguel; Thiel, Walter; Sanchez-Garcia, Elsa; Sander, Wolfram
    Switching the Spin State of Diphenylcarbene via Halogen Bonding
    In: Journal of the American Chemical Society Vol. 138 (2016) Nr. 5, pp. 1689 - 1697
    ISSN: 0002-7863; 1520-5126
    Online Full Text: dx.doi.org/
  • Costa, Paolo; Lohmiller, Thomas; Trosien, Iris; Savitsky, Anton; Lubitz, Wolfgang; Fernandez-Oliva, Miguel; Sanchez-Garcia, 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 Vol. 138 (2016) Nr. 5, pp. 1622 - 1629
    ISSN: 0002-7863; 1520-5126
    Online Full Text: dx.doi.org/
  • 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; Sanchez-Garcia, 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
    ISSN: 2041-1723
    Online Full Text: dx.doi.org/ (Open Access)
  • Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sanchez-Garcia, Elsa; Nuernberger, Patrick
    Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures
    In: Nature Communications Vol. 7 (2016) pp. 12968
    ISSN: 2041-1723
    Online Full Text: dx.doi.org/ (Open Access)

    • 2015

  • 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; Sanchez-Garcia, 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
    ISSN: 1554-8937; 1554-8929
    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; Sanchez-Garcia, 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
    ISSN: 2352-3409
    Online Full Text: dx.doi.org/ (Open Access)
  • Sokkar, Pandian; Boulanger, Eliot; Thiel, Walter; Sanchez-Garcia, 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
    ISSN: 1549-9626; 1549-9618
    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; Sanchez-Garcia, Elsa
    Understanding the ionic liquid [NC₄₁₁₁][NTf₂] from individual building blocks : An IR-spectroscopic study
    In: Physical Chemistry, Chemical Physics Vol. 17 (2015) Nr. 13, pp. 8518 - 8529
    ISSN: 1463-9076; 1463-9084
    Online Full Text: dx.doi.org/
  • Costa, Paolo; Trosien, Iris; Fernandez-Oliva, Miguel; Sanchez-Garcia, Elsa; Sander, Wolfram
    The Fluorenyl Cation
    In: Angewandte Chemie - International Edition Vol. 54 (2015) Nr. 9, pp. 2656 - 2660
    ISSN: 1521-3773; 1433-7851
    Online Full Text: dx.doi.org/
  • Martinez Gonzalez, Marco; Bravo-Rodriguez, Kenny; Suardiaz, Reynier; Garcia de la Vega, José Manuel; Montero, Luis Alberto; Sanchez-Garcia, Elsa; Crespo-Otero, Rachel
    Complexes of nitric oxide with water and imidazole
    In: Theoretical Chemistry Accounts Vol. 134 (2015) Nr. 7, pp. 88
    ISSN: 1432-881X; 1432-2234
    Online Full Text: dx.doi.org/ Online Full Text (Open Access)
  • 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; Sanchez-Garcia, 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
    ISSN: 2050-084X
    Online Full Text: dx.doi.org/ (Open Access)

    • 2014

  • Sander, Wolfram; Roy, Saonli; Bravo-Rodriguez, Kenny; Grote, Dirk; Sanchez-Garcia, 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
    ISSN: 1521-3765; 0947-6539
    Online Full Text: dx.doi.org/
  • Costa, Paolo; Fernandez-Oliva, Miguel; Sanchez-Garcia, Elsa; Sander, Wolfram
    The highly reactive benzhydryl cation isolated and stabilized in water ice
    In: Journal of the American Chemical Society Vol. 136 (2014) Nr. 44, pp. 15625 - 15630
    ISSN: 1520-5126; 0002-7863
    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; Sanchez-Garcia, 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
    ISSN: 1439-7633; 1439-4227
    Online Full Text: dx.doi.org/
  • Crespo-Otero, Rachel; Mardykov, Artur; Sanchez-Garcia, Elsa; Sander, Wolfram; Barbatti, Mario
    Photo-stability of peptide-bond aggregates: N-methylformamide dimers
    In: Physical Chemistry, Chemical Physics Vol. 16 (2014) Nr. 35, pp. 18877 - 18887
    ISSN: 1463-9076; 1463-9084
    Online Full Text: dx.doi.org/
  • Klopries, Stephan; Koopmans, Kyra R. M.; Sanchez-Garcia, Elsa; Schulz, Frank
    Biosynthesis with fluorine
    In: ChemBioChem Vol. 15 (2014) Nr. 4, pp. 495 - 497
    ISSN: 1439-7633; 1439-4227
    Online Full Text: dx.doi.org/
  • Merten, Christian; Li, Fee; Bravo-Rodriguez, Kenny; Sanchez-Garcia, Elsa; Xu, Yunjie; Sander, Wolfram
    Solvent-induced conformational changes in cyclic peptides : A vibrational circular dichroism study
    In: Physical Chemistry, Chemical Physics Vol. 16 (2014) Nr. 12, pp. 5627 - 5633
    ISSN: 1463-9076; 1463-9084
    Online Full Text: dx.doi.org/

    • 2013

  • Bier, David; Ottmann, Christian; Schrader, Thomas; Sanchez-Garcia, 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
    ISSN: 1755-4349; 1755-4330
    Online Full Text: dx.doi.org/

    • 2012

  • Sanchez-Garcia, Elsa; Jansen, Georg
    Competition between H···π and H···O interactions in furan heterodimers
    In: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment & General Theory Vol. 116 (2012) Nr. 23, pp. 5689 - 5697
    ISSN: 1089-5639; 1520-5215
    Online Full Text: dx.doi.org/

    • 2008

  • Sanchez-Garcia, 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) pp. 168 - 185
    ISSN: 0301-0104; 1873-4421

ZMB Research Programme

Prof. Elsa Sánchez-García participates in the ZMB research programme III, Molecular and Chemical Cell Biology.

DFG Collaborative Research Centre 1093 Supramolecular Chemistry on Proteins

A8: Exploring protein-recognition by supramolecular binders with MD and QM/MM methods

Europäischer Fonds für regionale Entwicklung EFRE Project

Inhibitors of the serin protease HTRA1 for the treatment of age-related blindness (2018-2022)

Participating Institutions
Lead Discovery Center GmbH, Dortmund
University of Duisburg-Essen