Christoph A. Sotriffer

17 papers Journal 17

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	MD-Based Assessment of Covalent Inhibitors in Noncovalent Association Complexes: Learning from Cathepsin K as a Test Case. J. Chem. Inf. Model. Erik Endres, Natalia Yuan Chen, Christoph A. Sotriffer
2016	J	`jnl`	Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence. J. Comput. Aided Mol. Des. Erika Piccirillo, Benjamin Merget, Christoph A. Sotriffer, Antonia T. do Amaral
2013	J	`jnl`	Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes. J. Cheminformatics David Zilian, Christoph A. Sotriffer
2013	J	`jnl`	MycPermCheck: the Bioinform. Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer
2013	J	`jnl`	MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules. J. Cheminformatics Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer
2013	J	`jnl`	SFCscore J. Chem. Inf. Model. David Zilian, Christoph A. Sotriffer
2011	J	`jnl`	Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design. J. Comput. Aided Mol. Des. Benjamin Schaefer, Caroline Kisker, Christoph A. Sotriffer
2011	J	`jnl`	Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. J. Chem. Inf. Model. Daniel Cappel, Rickard Wahlström, Ruth Brenk, Christoph A. Sotriffer
2011	J	`jnl`	Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations. J. Cheminformatics Oliver Koch, Daniel Cappel, Monika Nocker, Timo Jäger, Leopold Flohé, Christoph A. Sotriffer, Paul M. Selzer
2010	J	`jnl`	Approaching the limits: scoring functions for affinity prediction. J. Cheminformatics Christoph A. Sotriffer
2010	J	`jnl`	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. Martin Sippel, Christoph A. Sotriffer
2007	J	`jnl`	Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study. J. Chem. Inf. Model. Paul Czodrowski, Christoph A. Sotriffer, Gerhard Klebe
2006	J	`jnl`	3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors. J. Chem. Inf. Model. Alexander Weber, Markus Böhm, Claudiu T. Supuran, Andrea Scozzafava, Christoph A. Sotriffer, Gerhard Klebe
2006	J	`jnl`	AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB. Nucleic Acids Res. Peter Block, Christoph A. Sotriffer, Ingo Dramburg, Gerhard Klebe
2001	J	`jnl`	Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine. J. Comput. Chem. Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode
1999	J	`jnl`	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. Raimundo Gargallo, Christoph A. Sotriffer, Klaus R. Liedl, Bernd M. Rode
1996	J	`jnl`	Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4. J. Comput. Aided Mol. Des. Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, Bernd M. Rode, Janos M. Varga