Christoph A. Sotriffer

Publication Activity (10 Years)

Years Active: 1996-2023
Publications (10 Years): 2

Top Topics

Prediction Accuracy

Protein Complexes

Scoring Function

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Erik Endres, Natalia Yuan Chen, Christoph A. Sotriffer
MD-Based Assessment of Covalent Inhibitors in Noncovalent Association Complexes: Learning from Cathepsin K as a Test Case. J. Chem. Inf. Model. 63 (10) (2023)
Erika Piccirillo, Benjamin Merget, Christoph A. Sotriffer, Antonia T. do Amaral
Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence. J. Comput. Aided Mol. Des. 30 (3) (2016)
Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules. J. Cheminformatics 5 (S-1) (2013)
Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer
permeability prediction tool for small molecules. Bioinform. 29 (1) (2013)
David Zilian, Christoph A. Sotriffer
: A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes. J. Chem. Inf. Model. 53 (8) (2013)
David Zilian, Christoph A. Sotriffer
Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes. J. Cheminformatics 5 (S-1) (2013)
Daniel Cappel, Rickard Wahlström, Ruth Brenk, Christoph A. Sotriffer
Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. J. Chem. Inf. Model. 51 (10) (2011)
Oliver Koch, Daniel Cappel, Monika Nocker, Timo Jäger, Leopold Flohé, Christoph A. Sotriffer, Paul M. Selzer
Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations. J. Cheminformatics 3 (S-1) (2011)
Benjamin Schaefer, Caroline Kisker, Christoph A. Sotriffer
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design. J. Comput. Aided Mol. Des. 25 (11) (2011)
Christoph A. Sotriffer
Approaching the limits: scoring functions for affinity prediction. J. Cheminformatics 2 (S-1) (2010)
Martin Sippel, Christoph A. Sotriffer
Molecular Dynamics Simulations of the HIV-1 Integrase Dimerization Interface: Guidelines for the Design of a Novel Class of Integrase Inhibitors. J. Chem. Inf. Model. 50 (4) (2010)
Paul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study. J. Chem. Inf. Model. 47 (4) (2007)
Peter Block, Christoph A. Sotriffer, Ingo Dramburg, Gerhard Klebe
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB. Nucleic Acids Res. 34 (Database-Issue) (2006)
Alexander Weber, Markus Böhm, Claudiu T. Supuran, Andrea Scozzafava, Christoph A. Sotriffer, Gerhard Klebe
3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors. J. Chem. Inf. Model. 46 (6) (2006)
Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode
Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine. J. Comput. Chem. 22 (8) (2001)
Raimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode
Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components. J. Comput. Aided Mol. Des. 13 (6) (1999)
Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode, Janos M. Varga
Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4. J. Comput. Aided Mol. Des. 10 (4) (1996)