Publications

Publication Metrics

Book Chapters

Papers

2020

79. Desiree Schütz, Yasser B. Ruiz-Blanco, Jan Münch, Frank Kirchhoff, Elsa Sanchez-Garcia*, Janis A. Müller* "Peptide and peptide-based inhibitors of SARS-CoV-2 entry" Advanced Drug Delivery Reviews 2020 167, 47-65. DOI: 10.1016/j.addr.2020.11.007

78. Armin Holch, Richard Bauer, Lia-Raluca Olari, Armando A. Rodriguez, Ludger Ständker, Nico Preising, Merve Karacan, Sebastian Wiese, Paul Walther, Yasser B. Ruiz-Blanco, Elsa Sanchez-Garcia, Christian Schumann, Jan Münch* & Barbara Spellerberg "Respiratory ß-2-Microglobulin exerts pH dependent antimicrobial activity" Virulence 2020 11 (1), 1402-1414. DOI: 10.1080/21505594.2020.1831367

77. Tatjana Weil, Rüdiger Groß, Annika Röcker, Kenny Bravo-Rodriguez, Christian Heid, Andrea Sowislok, My-Hue Le, Nelli Erwin, Mridula Dwivedi, Stephen M. Bart, Paul Bates, Lukas Wettstein, Janis A. Müller, Mirja Harms, Konstantin Sparrer, Yasser B. Ruiz-Blanco, Christina M. Stürzel, Jens von Einem, Sina Lippold, Clarissa Read, Paul Walther, Marco Hebel, Florian Kreppel, Frank-Gerrit Klärner, Gal Bitan, Michael Ehrmann, Tanja Weil, Roland Winter, Thomas Schrader*, James Shorter*, Elsa Sanchez-Garcia*, and Jan Münch* "Supramolecular Mechanism of Viral Envelope Disruption by Molecular Tweezers" Journal of the American Chemical Society 2020 142 (40), 17024–17038. DOI: 10.1021/jacs.0c06400

76. Tim Schleif, Jörg Tatchen, Julien F. Rowen, Frederike Beyer, Elsa Sanchez-Garcia*, Wolfram Sander* "Heavy Atom Tunneling in Semibullvalenes: How Driving Force, Substituents, and Environment Influence the Tunneling Rates" Chemistry -A European Journal (2020) VIP publication and Journal Cover. DOI:10.1002/chem.202001202

75. Rüdiger Groß, Richard Bauer, Franziska Krüger, Elke Rücker-Braun, Lia-Raluca Olari, Ludger Ständker, Nico Preising, Armando A. Rodríguez, Carina Conzelmann, Fabian Gerbl, Daniel Sauter, Frank Kirchhoff, Benjamin Hagemann, Jasmina Gačanin, Tanja Weil, Yasser B. Ruiz-Blanco, Elsa Sanchez-Garcia, Wolf-Georg Forssmann, Annette Mankertz, Sabine Santibanez, Steffen Stenger, Paul Walther, Sebastian Wiese, Barbara Spellerberg* and Jan Münch* "A Placenta Derived C-Terminal Fragment of β-Hemoglobin With Combined Antibacterial and Antiviral Activity" Frontiers in Microbiology  (2020) 11, 508. DOI=10.3389/fmicb.2020.00508   

74. Yasser B. Ruiz-Blanco* and Elsa Sanchez-Garcia* "CL-FEP: An End-State Free Energy Perturbation Approach" Journal of Chemical Theory and Computation 2020 16 (3), 1396-1410. DOI: 10.1021/acs.jctc.9b00725

73. Ave Kuusk, João Filipe Neves, Kenny Bravo-Rodriguez, Anders Gunnarsson, Yasser B. Ruiz-Blanco, Michael Ehrmann, Hongming Chen, Isabelle Landrieu*, Elsa Sanchez-Garcia*, Helen Boyd*, Christian Ottmann*, Richard G. Doveston* "Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σ" ACS Chemical Biology 2020 15 (1), 262-271. DOI: 10.1021/acschembio.9b00893

2019

72. Johannes Knorr, Pandian Sokkar, Paolo Costa, Wolfram Sander, Elsa Sanchez-Garcia* and Patrick Nuernberger* "How Protic Solvents Determine the Reaction Mechanisms of Diphenylcarbene in Solution" The Journal of Organic Chemistry 2019 84 (18), 11450-11457. DOI: 10.1021/acs.joc.9b01228

71. Nikaïa Smith, Mathieu P. Rodero, Nassima Bekaddour, Vincent Bondet, Yasser B. Ruiz-Blanco, Mirja Harms, Benjamin Mayer, Brigitte Badder-Meunier, Pierre Quartier, Christine Bodemer, Véronique Baudouin, Yannick Dieudonné, Frank Kirchhoff, Elsa Sanchez-Garcia, Bruno Charbit, Nicolas Leboulanger, Bernd Jahrsdörfer, Yolande Richard, Anne-Sophie Korganow, Jan Münch, Sébastien Nisole, Darragh Duffy, Jean-Philippe Herbeuval  "Control of TLR7-mediated type I IFN signaling in pDCs through CXCR4 engagement—A new target for lupus treatment" Science Advances 2019 5 (7), eaav9019. DOI: 10.1126/sciadv.aav9019

70. Sandra Romero-Molina, Yasser B. Ruiz-Blanco*, James R. Green and Elsa Sanchez-Garcia* "ProtDCal‐Suite: A web server for the numerical codification and functional analysis of proteins" Protein Science 2019 28 (9), 1734-1743. DOI: 10.1002/pro.3673

69. Lina Bartsch, Maria Bartel, Javier Iglesias-Fernandez, Yasser B. Ruiz-Blanco, Christine Beuck, Jeroen Briels, Alba Gigante, Niklas Toetsch, Peter Bayer, Elsa Sanchez-Garcia, Christian Ottmann, Carsten Schmuck "Multivalent ligands with tailor-made anion binding motif as stabilizers of protein-protein interactions" ChemBioChem 2019 20 (23), 2921-2926. DOI: 10.1002/cbic.201900288

68. Nadja Berger, Laura Wollny, Pandian Sokkar, Sumit Mittal, Joel Mieres-Perez, Raphael Stoll, Wolfram Sander*, Elsa Sanchez-Garcia* "Solvent‐Enhanced Conformational Flexibility of Cyclic Tetrapeptides" ChemPhysChem 2019 20 (13), 1664-1670. DOI: 10.1002/cphc.201900345

67., , z-G*, and "Gas-Phase Deprotonation of Benzhydryl Cations: Carbene Basicity, Multiplicity, and Rearrangements" Journal of Organic Chemistry 2019 84 (12), 7685-7693. DOI: 10.1021/acs.joc.9b00496

66. Jens Bongard, Anna Laura Schmitz, Alex Wolf, Gunther Zischinsky, Michel Pieren, Birgit Schellhorn, Kenny BravoRodriguez, Jasmin Schillinger, Uwe Koch, Peter Nussbaumer, Bert Klebl, Jörg Steinmann, Jan Buer, Elsa Sanchez-Garcia, Michael Ehrmann, and Markus Kaiser. "Chemical validation of DegS as a target for the development of antibiotics with a novel mode of action" ChemMedChem 2019 14 (11), 1074-1078. DOI: 10.1002/cmdc.201900193

65. Sandra Romero-Molina, Yasser B. Ruiz-Blanco*, Mirja Harms, Jan Münch, and Elsa Sanchez-Garcia* "PPI-Detect: A Support Vector Machine Model for Sequence-Based Prediction of Protein–Protein Interactions" Journal of Computational Chemistry 2019 40 (11), 1233-1242. DOI: 10.1002/jcc.25780

2018

64. Stefan Henkel, Iris Trosien, Joel Mieres-Pérez, Thomas Lohmiller, Anton Savitsky, Elsa Sanchez-Garcia, and Wolfram Sander “Reactions of Cyclopentadienylidenes with CF3I: Electron Bond Donation versus Halogen Bond Donation of the Iodine Atom“  The Journal of Organic Chemistry, 2018 83 (15), 7586–7592. DOI: 10.1021/acs.joc.8b01328

63. Yilmaz, Elvan; Bier, David; Guillory, Xavier; Briels, Jeroen; Ruiz-Blanco, Yasser B; Sanchez-Garcia, Elsa; Ottmann, Christian and Kaiser, Markus “Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular ‘lysine wrapping’ of oligoethylene glycol (OEG) moieties in proteins” Chemistry - A European Journal 2018 24 (52), 13807-13814. DOI: 10.1002/chem.201801074

62. Mittal, Sumit; Bravo-Rodriguez, Kenny and Sanchez-Garcia, Elsa* “Mechanism of Inhibition of Beta Amyloid Toxicity by Supramolecular Tweezers” The Journal of Physical Chemistry B 2018 122 (15), 4196−4205. DOI: 10.1021/acs.jpcb.7b10530

61. Shen, Bin; Tatchen, Jörg; Sanchez Garcia, Elsa and Holger Bettinger “Evolution of the Optical Gap in the Acene Series: Undecacene” Angewandte Chemie 2018 57 (33), 10506-10509. DOI: 10.1002/anie.201802197

60. 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 and Wanker, Erich E. “Self -assembly of Mutant Huntingtin Exon-1 Fragments into Large Complex Fibrillar Structures Involves Nucleated Branching” Journal of Molecular Biology 2018 430 (12), 1725-1744. DOI: 10.1016/j.jmb.2018.03.017

59. Dirkmann, Michael; Iglesias, Javier;  Muñoz, Victor; Sokkar, Pandian; Rumancev, Christoph;  von Gundlach, Andreas; Krenczyk, Oktavian; Vöpel, Tobias; Nowack, Julia; Schroer, Martin; Ebbinghaus, Simon; Herrmann, Christian; Rosenhahn, Axel; Sanchez-Garcia, Elsa* and  Schulz, Frank*.  "A Multi-Perspective Approach to Solvent Regulation of Enzymatic Activity: HMG-Coa Reductase" ChemBioChem 2018 19 (2), 153-158. DOI: 10.1002/cbic.201700596

58. Zakeri, Banafshe; Niebling, Stephan; Gigante-Martinez, Alba; Sokkar, Pandian; Sanchez-Garcia, Elsa; Schmuck, Carsten and 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" Physical Chemistry Chemical Physics 2018 20 (3), 1817-1820. DOI: 10.1039/c7cp04971d

57. Ehlers, Martin; Grad, Jean-Noel; Mittal, Sumit; Bier, David; Mertel, Marcel; Ohl, Ludwig; Bartel, Maria; Briels, Jeroen; Heimann, Marius; Ottmann, Christian; Sanchez-Garcia, Elsa*; Hoffmann, Daniel* and 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" ChemBioChem 2018 19 (6), 591-595. DOI: 10.1002 /cbic.201700588

2017

56. 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* and Sanchez-Garcia, Elsa*. "Inhibition of Huntingtin Exon-1 Aggregation by the Molecular Tweezer CLR01" Journal of the American Chemical Society 2017 139 (16) 5640-5643. DOI: 10.1021/jacs.6b11039

55. Sprengel, Andreas; Lill, Pascal; Stegemann, Pierre; Bravo-Rodriguez, Kenny; Schöneweiß, Elisa-C.; Merdanovic, Melisa; Gudnason, Daniel; Aznauryan, Mikayel; Gamrad, Lisa; Barcikowski, Stephan; Sanchez-Garcia, Elsa; Birkedal, Victoria; Gatsogiannis, Christos; Ehrmann, Michael and Saccà,  Barbara. "Tailored Protein Encapsulation into a DNA Host Using Geometrically Organized Supramolecular Interactions" Nature Communications 2017 8, 14472. DOI: 10.1038/ncomms14472

54. Tsegaw, Yetsedaw A.; Kadam, Pritam E.; Tötsch, Niklas; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "Is Magnetic Bistability of Carbenes a General Phenomenon? Isolation of Simple Aryl(Trifluoromethyl)Carbenes in both their Singlet and Triplet States" Journal of the American Chemical Society 2017 139 (35), 12310-12316. DOI: 10.1021/jacs.7b06868

53. 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* and Ottmann, Christian*. "The Molecular Tweezer CLR01 Stabilizes a Disordered Protein–Protein Interface" Journal of the American Chemical Society 2017 139 (45), 16256-16263. DOI: 10.1021/jacs.7b07939

52. Ganguly, Abir; Quan L., Trung; Brylski, Oliver; Dirkmann, Michael; Möller, David; Ebbinghaus, Simon; Schulz, Frank; Winter, Roland; Sanchez-Garcia, Elsa* and Thiel, Walter*. "Elucidation of the Catalytic Mechanism of a Miniature Zinc Finger Hydrolase" The Journal of Physical Chemistry B 2017 121 (26), 6390-6398. DOI: 10.1021/acs.jpcb.7b05027

51. Schulz, Nils; Sokkar, Pandian; Engelage, Elric; Schindler, Severin; Erdelyi, Mate; Sanchez-Garcia, Elsa* and Huber, Stefan*. "XB, or not XB, that is the Question: The Interaction Modes of Haloimidazolium Salts in Solution" Chemistry - A European Journal 2017 24 (14), 3464-3473. DOI: 10.1002/chem.201705032

2016

50. Bettinger, Holger F*; Tönshoff, Christina; Doerr, Markus and Sanchez-Garcia, Elsa* "Electronically excited states of higher acenes up to nonacene: A Density Functional Theory/Multireference Configuration Interaction (DFT/MRCI) Study". Journal of Chemical Theory and Computation 2016 12 (1) 305-312. DOI: 10.1021/acs.jctc.5b00671

49. Costa, Paolo; Lohmiller, Thomas; Trosien, Iris; Savitsky, Anton*; Lubitz, Wolfgang; Fernández-Oliva, Miguel; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "Light and Temperature Control of the Spin State of Bis( P-Methoxy-Phenyl)Carbene: A Magnetically Bistable Carbene" Journal of the American Chemical Society 2016 138 (5). 1622-1629. DOI: 10.1021/jacs.5b11696

48. Henkel, Stefan; Costa, Paolo; Klute, Linda; Sokkar, Pandian; Fernandez-Oliva, Miguel; Thiel, Walter; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "Switching the Spin State of Diphenylcarbene via Halogen Bonding" Journal of the American Chemical Society 2016 138 (5) 1689-1697. DOI: 10.1021/jacs.5b12726

47. Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sanchez-Garcia, Elsa* and Nuernberger, Patrick*. "Competitive Solvent-Molecule Interactions Govern the Primary Processes of Diphenylcarbene in Solvent Mixtures" Nature Communications 2016 7, 12968. DOI: 10.1038/ncomms12968

46. Arumughan , Anup; Roske , Yvette; Barth , Carolin; Forero,  Laura; Bravo-Rodriguez, Kenny; Redel , Alexandra; Faelber, Katja; Rau , Kirstin; Mielke , Thorsten; Daumke , Oliver; Sanchez-Garcia, Elsa; Rocks, Oliver; Panakova , Daniela; Heinemann, Udo and Wanker, Erich. "Quantitative Interaction Mapping Reveals an Extended Ubiquitin Regulatory Domain in ASPL that Disrupts Functional p97 Hexamers" Nature Communications 2016 7, 13047. DOI: 10.1038/ncomms13047

45. Trusch, Franziska; Kowski, Klaus; Bravo-Rodriguez, Kenny; Beuck, Christine; Sowislok, Andrea; Wettig, Burkhard; Matena, Anja; Sanchez-Garcia, Elsa; Meyer, Hemmo; Schrader, Thomas and Bayer, Peter "Molecular Tweezers Target a Protein-Protein Interface and Thereby Modulate Complex Formation" Chemical Communications 2016 52, 14141-14144. DOI: 10.1039/C6CC08039A

2015

44. Costa, Paolo; Trosien, Iris; Fernandez-Oliva, Miguel; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "The Fluorenyl Cation" Angewandte Chemie 2015 54 (9), 2656-2660. VIP publication and Journal Cover. DOI: 10.1002/anie.201411234

43. Sokkar, Pandian; Boulanger, Eliot; Thiel, Walter and Sanchez-Garcia, Elsa*. "Hybrid Quantum Mechanics/Molecular Mechanics/Coarse-Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems" Journal of Chemical Theory and Computation 2015 11 (4), 1809-1818. Journal Cover. DOI: 10.1021/ct500956u

42. Hanke, Kenny; Kaufmann, Matin; Schwaab, Gerhard; Havenith, Martina; Wolke, Conrad T.; Gorlova, Olga; Johnson,  Mark A.; Kar, Bishnu; Sander,  Wolfram and Sanchez-Garcia, Elsa "Understanding the Ionic Liquid [NC4111][NTf2] from Individual Building Blocks: An IR-spectroscopic Study" Physical Chemistry Chemical Physics 2015 17, 8518-8529. DOI: 10.1039/C5CP00116A

41. Bravo-Rodriguez, Kenny; Klopries, Stephan; Koopmans, Kyra R. M.; Sundermann, Uschi; Yahiaoui, Samir; Arens, Julia; Kushnir, Susanna; Schulz, Frank* and Sanchez-Garcia, Elsa*. "Substrate Flexibility of a Mutated Acyltransferase Domain: Implications for Polyketide Biosynthesis". Chemistry & Biology 2015 22 (11), 1425-1430. Journal Cover. DOI: 10.1016/j.chembiol.2015.02.008

40. Klopries, Stephan;  Bravo-Rodriguez, Kenny; Koopmans, Kyra R. M.; Sundermann, Uschi; Yahiaoui, Samir; Arens, Julia; Kushnir, Susanna; Sanchez-Garcia, Elsa* and Schulz, Frank*. "Data in support of Substrate Flexibility of a Mutated Acyltransferase Domain: Implications for Polyketide Biosynthesis". Data in Brief 2015 5, 528-536. DOI: 10.1016/j.dib.2015.09.052

39. Lopes, Dahabada H. J.; Attar, Aida; Nair, Gayatri; Hayden, Eric; Du, Zhenming; McDaniel, Kirsten; Dutt, Som; Bandmann, Heinz; Bravo-Rodriguez, Kenny; Mittal, Sumit; Klärner, Frank; Wang, Chunyu; Sanchez-Garcia, Elsa; Schrader, Thomas and Bitan, Gal. "Molecular Tweezers Inhibit Islet Amyloid Polypeptide Assembly and Toxicity by a New Mechanism" ACS Chemical Biology 2015 10 (6), 1555-1569. Journal Cover. DOI: 10.1021/acschembio.5b00146

38. Lump, Edina; Castellano, Laura M.; Meier, Christoph; Seeliger, Janine; Erwin, Nelli; Sperlich, Benjamin; Stürzel, Christina M.; Usmani, Shariq; Hammond, Rebecca M.; von Einem, Jens; Gerold, Gisa; Kreppel, Florian; Bravo-Rodriguez, Kenny; Pietschmann, Thomas; Holmes, Veronica M.; Weissman, Drew; Sowislok, Andrea; Wettig, Burkhard; Heid, Christian; Kirchhoff, Frank; Weil, Tanja; Klaerner, Frank-Gerrit; Schrader, Thomas; Bitan, Gal; Sanchez-Garcia, Elsa; Winter, Roland; Shorter, James and Münch, Jan. "A Molecular Tweezer Antagonizes Seminal Amyloids and HIV Infection" elife 2015;4:e05397. DOI: 10.7554/eLife.05397

37. Martinez Gonzalez, Marco; Bravo-Rodriguez, Kenny; Suardíaz, Reynier; García de la Vega, José M.; Montero, Luis A. and Sanchez-Garcia, Elsa and Crespo-Otero, Rachel. "Complexes of Nitric Oxide with Water and Imidazole" Theoretical Chemistry Accounts 2015 134, 88. DOI 10.1007/s00214-015-1691-x

2014

36. Costa, Paolo; Fernandez-Oliva, Miguel; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "The Highly Reactive Benzhydryl Cation Isolated and Stabilized in Water Ice" Journal of the American Chemical Society 2014 136 (44), 15625-15630. Featured in JACS Spotlights and Journal Cover. DOI: 10.1021/ja507894x

35. Sander, Wolfram*; Roy, Saonli; Bravo-Rodriguez, Kenny; Grote, Dirk and Sanchez-Garcia, Elsa*. "The Benzylperoxy Radical as a Source of Hydroxyl and Phenyl Radicals" Chemistry–A European Journal 2014 20 (40), 12917-12923. DOI: 10.1002/chem.201402459

34. Bravo-Rodriguez, Kenny; Ismail-Ali, Ahmed F.; Klopries, Stephan; Kushnir, Susanna; Ismail, Shehab; Fansa, Eyad K.; Wittinghofer, Alfred; Schulz, Frank* and Sanchez-Garcia, Elsa*. "Predicted Incorporation of Non-Native Substrates by a Polyketide Synthase Yields Bioactive Natural Product Derivatives" ChemBioChem 2014 15 (13), 1991-1997. DOI: 10.1002/cbic.201402206

33. Crespo-Otero, Rachel; Mardyukov, Artur; Sanchez-Garcia, Elsa; Sander, Wolfram and Barbatti, Mario. "Photo-stability of Peptide-bond Aggregates: N-methylformamide Dimers" Physical Chemistry Chemical Physics 2014 16, 18877-18887. DOI: 10.1039/C4CP02518K

32. Klopries, Stephan; Koopmans, Kyra R. M.; Sanchez-Garcia, Elsa* and Schulz, Frank*. "Biosynthesis with Fluorine". ChemBioChem 2014 15 (4), 495-497. DOI: 10.1002/cbic.201300750>

31. Merten, Christian; Li, Fee; Bravo-Rodriguez, Kenny; Sanchez-Garcia, Elsa; Xu, Yunjie and Sander, Wolfram. "Solvent-induced Conformational Changes in Cyclic Peptides: A Vibrational Circular Dichroism Study" Physical Chemistry Chemical Physics 2014 16 (12), 5627-5633. DOI: 10.1039/c3cp55018d

2013

30. Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram* and Sanchez-Garcia, Elsa*. "Stereochemistry Rules: a Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide" Journal of Physical Chemistry B 2013 117 (37), 10785-10791. DOI: 10.1021/jp406497r

29. Hernández-Rodríguez, Erix W.;  Montero Alejo, Ana L.; López, Rafael; Sanchez-Garcia, Elsa; Montero, Luis A. and García de la Vega, José M. "Electron Density Deformations provide new Insights into the Spectral Shift of Rhodopsins" Journal of Computational Chemistry 2013 34 (28), 2460-2471 (inside cover). DOI: 10.1002/jcc.23414

28. Dutt, Som; Wilch, Constanze; Gersthagen, Thomas; Talbiersky, Peter; Bravo-Rodriguez, Kenny; Hanni, Matti; Sanchez-Garcia, Elsa*; Ochsenfeld, Christian*; Klärner, Frank* and Schrader, Thomas*. "Molecular Tweezers with Varying Anions: A Comparative Study" Journal of Organic Chemistry 2013 78 (13) 6721-6734. DOI: 10.1021/jo4009673

27. Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Ruediger; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa* and Sander, Wolfram*. "Conformation and Dynamics of a Cyclic Disulfide-Bridged Peptide: Effects of Temperature and Solvent" Journal of Physical Chemistry B 2013 117 (13), 3560-3570. DOI: 10.1021/jp4007334

26. Bier, David; Rose, Rolf; Bravo-Rodriguez, Kenny; Bartel, Maria; Ramirez-Anguita, Juan Manuel; Dutt, Som; Wilch, Constanze; Klärner, Frank; Sanchez-Garcia, Elsa*; Schrader, Thomas* and Ottmann, Christian*. "Molecular Tweezers Modulate 14-3-3 Protein-protein Interactions" Nature Chemistry 2013 5 (3), 234-239. DOI: 10.1038/nchem.1570

25. Sundermann, Uschi; Bravo-Rodriguez, Kenny; Klopries, Stephan; Kushnir, Susanna; Gomez, Hansel; Sanchez-Garcia, Elsa* and Schulz, Frank*. "Enzyme-Directed Mutasynthesis: A Combined Experimental and Theoretical Approach to Substrate Recognition of a Polyketide Synthase" ACS Chemical Biology 2013 8 (2), 443-450. DOI: 10.1021/cb300505w

24. Crespo-Otero, Rachel; Bravo-Rodriguez, Kenny; Roy, Saonli; Benighaus Tobias; Thiel, Walter; Sander, Wolfram and Sanchez-Garcia, Elsa*. "Interactions of Aromatic Radicals with Water" ChemPhysChem, special issue. 2013 14 (4), 805-811. DOI: 10.1002/cphc.201200840

23. Crespo-Otero, Rachel; Mardyukov, Artur; Sanchez-Garcia, Elsa; Barbatti, Mario and Sander, Wolfram. "Photochemistry of N-Methylformamide: Matrix Isolation and Nonadiabatics Dynamics" ChemPhysChem, special issue 2013 14 (4), 827-836. DOI: 10.1002/cphc.201200573

2012

22. Sander, Wolfram;* Roy, Saonli; Polyak, Iakov Ramirez-Anguita, Juan Manuel and Sanchez-Garcia, Elsa*. "The Phenoxyl Radical−Water Complex – A Matrix Isolation and Computational Study". Journal of the American Chemical Society 2012 134 (19) 8222-8230. DOI: 10.1021/ja301528w

21. Sanchez-Garcia, Elsa* and Jansen, Georg*."Competition between H···π and H···O Interactions in Furan Heterodimers" Journal of Physical Chemistry A 2012 116 (23), 5689-5697. DOI: 10.1021/jp301710y

20. Hernández-Rodríguez, Erix W.; Sanchez-Garcia, Elsa*; Crespo-Otero, Rachel; Montero Alejo, Ana L.; Montero, Luis A. and Thiel, Walter. "Understanding Rhodopsin Mutations Linked to the Retinitis Pigmentosa Disease: A QM/MM and DFT/MRCI Study" Journal of Physical Chemistry B 2012 116 (3), 1060-1076. DOI: 10.1021/jp2037334

2011-2000

19. Metzelthin, Anja; Sánchez-García, Elsa; Birer, Özgür; Schwaab, Gerhard; Thiel, Walter; Sander, Wolfram and Havenith, Martina. "Acetylene•••Furan Trimer Formation at 0.37 K as a Model for Ultracold Aggregation of Non- and Weakly Polar Molecules" ChemPhysChem 2011 12 (10), 2009-2017. DOI: 10.1002/cphc.201001040

18. Hsiao, Ya-Wen; Sánchez-García, Elsa; Doerr, Markus and Thiel, Walter. "Quantum Refinement of Protein Structures: Implementation and Application to the Red Fluorescent Protein DsRed.M1". Journal of Physical Chemistry B 2010 114 (46), 15413-15423. DOI: 10.1021/jp108095n

17. Mardyukov, Artur; Crespo-Otero, Rachel; Sánchez-García, Elsa* and Sander, Wolfram*. "Photochemistry and Reactivity of the Phenyl Radical – Water System: A Matrix Isolation and Computational Study" Chemistry – A European Journal 2010 16 (29) 8679-8689. DOI: 10.1002/chem.200903362

16. Sánchez-García, Elsa; Doerr, Markus and Thiel, Walter. "QM/MM Study of the Absorption Spectra of DsRed.M1 Chromophores" Journal of Computational Chemistry 2009 31 (8), 1603-1612. DOI: 10.1002/jcc.21443

15. Sánchez-García, Elsa; Doerr, Markus; Hsiao, Ya-Wen and Thiel, Walter. "QM/MM Study of the Monomeric Red Fluorescent Protein DsRed.M1" Journal of Physical Chemistry B 2009 113 (52), 16622-16631. DOI: 10.1021/jp9069042

14. Mardyukov, Artur; Sánchez-García, Elsa; Crespo-Otero, Rachel and Sander, Wolfram. "Interaction and Reaction of the Phenyl Radical with Water – a new Source of OH Radicals". Angewandte Chemie, International Edition 2009 48 (26) 4804-4807. DOI: 10.1002/anie.200806268

13. Bettinger, Holger F.; Kar, Tapas and Sánchez-García, Elsa. "Borazine and Benzene Homo- and Heterodimers". Journal of Physical Chemistry A 2009 113 (14), 3353-3359. DOI: 10.1021/jp808173h

12. Mardyukov, Artur; Sánchez-García, Elsa and Sander, Wolfram. "Matrix Isolation and Ab Initio Study of the Noncovalent Complexes between Formamide and Acetylene" Journal of Physical Chemistry A 2009 113 (6) 1086-1095. DOI: 10.1021/jp806675n

11. Crespo-Otero, Rachel; Sánchez-García, Elsa*; Suardíaz, Reynier; Montero, Luis A. and Sander, Wolfram*. "Interactions between Simple Radicals and Water" Chemical Physics 2008 353, 193-201. DOI: 10.1016/j.chemphys.2008.08.012

10. Metzelthin, Anja; Birer, Özgür; Sánchez-García, Elsa and Havenith, Martina. "High Resolution IR-Spectroscopy of Acetylene-Furan in Ultracold Helium Nanodroplets" Journal of Chemical Physics 2008 129, 114307. DOI: 10.1063/1.2976772

9. Sánchez-García, Elsa; Mardyukov, Artur.; Tekin, Adem; Crespo-Otero, Rachel; Montero, Luis. A.; Sander, Wolfram and Jansen, Georg. "Ab initio and Matrix Isolation Study of the Acetylene–Furan Dimer" Chemical Physics 2008 343, 168-185. DOI: 10.1016/j.chemphys.2007.09.053

8. Mardyukov, Artur; Sánchez-García, Elsa; Rodziewicz, Pawel; Doltsinis, Nikos L. and Sander, Wolfram. "Formamide Dimers: A Computational and Matrix Isolation Study". Journal of Physical Chemistry A 2007 111 (42), 10552-10561. DOI: 10.1021/jp074927y

7. Sánchez-García, Elsa; Mardyukov, Arthur; Studentkowski, Marc; Montero, Luis A. and Sander, Wolfram. "Furan-Formic Acid Dimers: An ab Initio and Matrix Isolation Study" Journal of Physical Chemistry A 2006 110 (51), 13775-18785. DOI: 10.1021/jp065064w

6. Sánchez-García, Elsa; Montero, Luis A. and Sander, Wolfram. "Computational Study of Noncovalent Complexes between Formamide and Formic Acid". Journal of Physical Chemistry A 2006 110 (46), 12613-12622. DOI: 10.1021/jp0553636

5. Sánchez-García, Elsa and Montero, Luis A. "Analysis of the Similarity of Molecular Associations of Amylose with some Organoleptic Compounds"  Revista Cubana de Física 2005 22, 73. 

4. Sánchez-García, Elsa; Studentkowski, Marc; Montero, Luis A. and Sander, Wolfram. "Noncovalent Complexes between Dimethylether and Formic Acid-an Ab initio and Matrix Isolation Study" ChemPhysChem 2005 6 (4), 618-624. DOI: 10.1002/cphc.200400430

3. Sánchez-García, Elsa; George, Lisa; Montero, Luis A. and Sander, Wolfram. "1:2 Formic Acid/Acetylene Complexes: Ab initio and Matrix Isolation Studies of Weakly Interacting Systems" Journal of Physical Chemistry A 2004 108 (52) 11846-11854 DOI: 10.1021/jp0485082

2. George, Lisa; Sánchez-García, Elsa and Sander, Wolfram. "Matrix Isolation Infrared and ab initio Study of Formic Acid-Acetylene Interaction: Example of H•••π and C-H•••O Interaction" Journal of Physical Chemistry A 2003 107 (35), 6850-6858. DOI: 10.1021/jp034158s

1. García, Elsa Sánchez; Montero, Luis A.; Hermida, Jose M.; Cruz, Roberto and Gonzalez, Gerardo. "Calculation of Association Energy in Acetone Clusters by the Multiple Minima Hypersurface Approximation" Revista Cubana de Física 2000 17, 41.

Book Chapters

2020

1. Joel Mieres-Perez*, Elsa Sanchez-Garcia* "Quantum mechanics/molecular mechanics multiscale modeling of biomolecules" Advances in Physical Organic Chemistry 2020 54, 143-183. DOI: 10.1016/bs.apoc.2020.08.002

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