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Bernd Kuhn
ORCID
Publication Activity (10 Years)
Years Active: 2004-2022
Publications (10 Years): 3
Top Topics
Drug Discovery
Protein Protein
Contact Maps
Top Venues
J. Comput. Aided Mol. Des.
J. Chem. Inf. Model.
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Publications
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Andreas Tosstorff
,
Markus G. Rudolph
,
Jason C. Cole
,
Michael Reutlinger
,
Christian Kramer
,
Hervé Schaffhauser
,
Agnès Nilly
,
Alexander Flohr
,
Bernd Kuhn
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J. Comput. Aided Mol. Des.
36 (10) (2022)
Andreas Tosstorff
,
Jason C. Cole
,
Robin Taylor
,
Seth F. Harris
,
Bernd Kuhn
Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J. Chem. Inf. Model.
60 (12) (2020)
Zied Gaieb
,
Shuai Liu
,
Symon Gathiaka
,
Michael Chiu
,
Huanwang Yang
,
Chenghua Shao
,
Victoria A. Feher
,
W. Patrick Walters
,
Bernd Kuhn
,
Markus G. Rudolph
,
Stephen K. Burley
,
Michael K. Gilson
,
Rommie E. Amaro
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des.
32 (1) (2018)
Bernd Kuhn
,
Julian E. Fuchs
,
Michael Reutlinger
,
Martin Stahl
,
Neil R. Taylor
Rationalizing Tight Ligand Binding through Cooperative Interaction Networks.
J. Chem. Inf. Model.
51 (12) (2011)
Ken A. Brameld
,
Bernd Kuhn
,
Deborah C. Reuter
,
Martin Stahl
Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis.
J. Chem. Inf. Model.
48 (1) (2008)
Bernd Kuhn
,
Peter A. Kollman
,
Martin Stahl
Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations.
J. Comput. Chem.
25 (15) (2004)