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ORCIDChristoph A. Sotriffer
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2020 – today
- 2023
[j17]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): 3186-3197 (2023)
2010 – 2019
- 2016
- [j16]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): 251-270 (2016) - 2013
- [j15]Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer:
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules. Bioinform. 29(1): 62-68 (2013) - [j14]Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer:
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules. J. Cheminformatics 5(S-1): 21 (2013) - [j13]David Zilian, Christoph A. Sotriffer:
Combining SFCscore with Random Forests leads to improved affinity prediction for protein-ligand complexes. J. Cheminformatics 5(S-1): 27 (2013) - [j12]David Zilian, Christoph A. Sotriffer:
SFCscoreRF: A Random Forest-Based Scoring Function for Improved Affinity Prediction of Protein-Ligand Complexes. J. Chem. Inf. Model. 53(8): 1923-1933 (2013) - 2011
- [j11]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): 1053-1069 (2011) - [j10]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): 23 (2011) - [j9]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): 2581-2594 (2011) - 2010
- [j8]Christoph A. Sotriffer:
Approaching the limits: scoring functions for affinity prediction. J. Cheminformatics 2(S-1): 22 (2010) - [j7]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): 604-614 (2010)
2000 – 2009
- 2007
- [j6]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): 1590-1598 (2007) - 2006
- [j5]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): 2737-2760 (2006) - [j4]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): 522-526 (2006) - 2001
- [j3]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): 846-860 (2001)
1990 – 1999
- 1999
- [j2]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): 611-623 (1999) - 1996
- [j1]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): 305-320 (1996)
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