Christoph A. Sotriffer

发表

Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4

Christoph A. Sotriffer, Rudolf H. Winger, Klaus R. Liedl, 1996, J. Comput. Aided Mol. Des..

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors

Gerhard Klebe, Christoph A. Sotriffer, Claudiu T. Supuran, 2006, J. Chem. Inf. Model..

Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes

Christoph A. Sotriffer, David Zilian, C. Sotriffer, 2013, Journal of Cheminformatics.

AffinDB: a freely accessible database of affinities for protein–ligand complexes from the PDB

Gerhard Klebe, Christoph A. Sotriffer, Peter Block, 2005, Nucleic Acids Res..

SFCscoreRF: A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes

Christoph A. Sotriffer, David Zilian, C. Sotriffer, 2013, J. Chem. Inf. Model..

Application of multivariate data analysis methods to Comparative Molecular Field Analysis (CoMFA) data: Proton affinities and pKa prediction for nucleic acids components

Christoph A. Sotriffer, Klaus R. Liedl, Raimundo Gargallo, 1999, J. Comput. Aided Mol. Des..

Applications and Success Stories in Virtual Screening

Christoph A. Sotriffer, Hans Matter, H. Matter, 2011 .

Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site

Daniel Cappel, Christoph A. Sotriffer, Ruth Brenk, 2011, J. Chem. Inf. Model..

MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules

Christoph A. Sotriffer, Tobias Müller, David Zilian, 2013, Bioinform..

Molecular Dynamics Simulations of the HIV-1 Integrase Dimerization Interface: Guidelines for the Design of a Novel Class of Integrase Inhibitors

Martin Sippel, Christoph A. Sotriffer, C. Sotriffer, 2010, J. Chem. Inf. Model..

Calculation of sequence‐dependent free energies of hydration of dipeptides formed by alanine and glycine

Hannes H. Loeffler, Christoph A. Sotriffer, Rudolf H. Winger, 2001, J. Comput. Chem..

Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations

Paul M. Selzer, Oliver Koch, Daniel Cappel, 2011, J. Cheminformatics.

Approaching the limits: scoring functions for affinity prediction

Christoph A. Sotriffer, 2010, J. Cheminformatics.

Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design

Christoph A. Sotriffer, Benjamin Schaefer, Caroline Kisker, 2011, J. Comput. Aided Mol. Des..

Virtual screening : principles, challenges, and practical guidelines

Christoph A. Sotriffer, C. Sotriffer, 2011 .

Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence

Christoph A. Sotriffer, Erika Piccirillo, Benjamin Merget, 2016, Journal of Computer-Aided Molecular Design.

The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening

Christoph A. Sotriffer, Hans Matter, H. Matter, 2011 .

Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study

Gerhard Klebe, Christoph A. Sotriffer, Paul Czodrowski, 2007, J. Chem. Inf. Model..

Identification and Mapping of Small-Molecule Binding Sites in Proteins: Computational Tools for Structure-Based Drug Design.

Gerhard Klebe, Christoph A. Sotriffer, G. Klebe, 2002 .

Rational optimization of drug-target residence time: insights from inhibitor binding to the Staphylococcus aureus FabI enzyme-product complex.

Peter J. Tonge, Christoph A. Sotriffer, Weixuan Yu, 2013, Biochemistry.

Anti-trypanosomal activities and structural chemical properties of selected compound classes

Christoph A. Sotriffer, Georg Krohne, Markus Engstler, 2015, Parasitology Research.

HIV-1 Integrase Inhibitor Interactions at the Active Site: Prediction of Binding Modes Unaffected by Crystal Packing

J. Andrew McCammon, Christoph A. Sotriffer, Haihong Ni, 2000 .

Scoring Functions for Protein–Ligand Interactions

Christoph A. Sotriffer, C. Sotriffer, 2012 .

Comparative Molecular Field Analysis of HIV‐1 Reverse Transcriptase Inhibitors in the Class of 1[(2‐Hydroxyethoxy)‐methyl]‐6‐(phenylthio)thymine

Supa Hannongbua, Christoph A. Sotriffer, Bernd M. Rode, 1996 .

- Protein–Ligand Docking: From Basic Principles to Advanced Applications

Christoph A. Sotriffer, C. Sotriffer, 2015 .

Mapping the pharmaceutical design space by amorphous ionic liquid strategies

Christoph A. Sotriffer, Helga Stopper, Wolfgang Dekant, 2017, Journal of controlled release : official journal of the Controlled Release Society.

The Docking Problem

Gerhard Klebe, Christoph A. Sotriffer, Martin Stahl, 2008 .

Docking and Scoring Functions/Virtual Screening

Gerhard Klebe, Christoph A. Sotriffer, Martin Stahl, 2003 .