Christoph A. Sotriffer
Orcid: 0000-0003-4713-4068
According to our database1,
Christoph A. Sotriffer
authored at least 17 papers
between 1996 and 2023.
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Bibliography
2023
MD-Based Assessment of Covalent Inhibitors in Noncovalent Association Complexes: Learning from Cathepsin K as a Test Case.
J. Chem. Inf. Model., May, 2023
2016
Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence.
J. Comput. Aided Mol. Des., 2016
2013
SFCscore<sup><i>RF</i></sup>: A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2013
Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes.
J. Cheminformatics, 2013
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules.
J. Cheminformatics, 2013
MycPermCheck: the <i>Mycobacterium tuberculosis</i> permeability prediction tool for small molecules.
Bioinform., 2013
2011
Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
J. Chem. Inf. Model., 2011
Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations.
J. Cheminformatics, 2011
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design.
J. Comput. Aided Mol. Des., 2011
2010
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., 2010
J. Cheminformatics, 2010
2007
Atypical Protonation States in the Active Site of HIV-1 Protease: A Computational Study.
J. Chem. Inf. Model., 2007
2006
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB.
Nucleic Acids Res., 2006
3D QSAR Selectivity Analyses of Carbonic Anhydrase Inhibitors: Insights for the Design of Isozyme Selective Inhibitors.
J. Chem. Inf. Model., 2006
2001
Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine.
J. Comput. Chem., 2001
1999
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., 1999
1996
Comparative docking studies on ligand binding to the multispecific antibodies IgE-La2 and IgE-Lb4.
J. Comput. Aided Mol. Des., 1996