Christoph A. Sotriffer - researchr alias

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Viewing Publication 1 - 17 from 17

2023

MD-Based Assessment of Covalent Inhibitors in Noncovalent Association Complexes: Learning from Cathepsin K as a Test CaseErik Endres, Natalia Yuan Chen, Christoph A. Sotriffer. jcisd, 63(10):3186-3197, May 2023. [doi]

2016

Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influenceErika Piccirillo, Benjamin Merget, Christoph A. Sotriffer, Antonia T. do Amaral. jcamd, 30(3):251-270, 2016. [doi]

2013

2011

2010

Molecular Dynamics Simulations of the HIV-1 Integrase Dimerization Interface: Guidelines for the Design of a Novel Class of Integrase InhibitorsMartin Sippel, Christoph A. Sotriffer. jcisd, 50(4):604-614, 2010. [doi]

Approaching the limits: scoring functions for affinity predictionChristoph A. Sotriffer. jcheminf, 2(S-1):22, 2010. [doi]

2007

Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational StudyPaul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe. jcisd, 47(4):1590-1598, 2007. [doi]

2006

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDBPeter Block, Christoph A. Sotriffer, Ingo Dramburg, Gerhard Klebe. nar, 34(Database-Issue):522-526, 2006. [doi]

3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective InhibitorsAlexander Weber, Markus Böhm, Claudiu T. Supuran, Andrea Scozzafava, Christoph A. Sotriffer, Gerhard Klebe. jcisd, 46(6):2737-2760, 2006. [doi]

2001

Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycineHannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode. jcc, 22(8):846-860, 2001. [doi]

1999

Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids componentsRaimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode. jcamd, 13(6):611-623, 1999. [doi]

1996

Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode, Janos M. Varga. jcamd, 10(4):305-320, 1996.

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