Bernd Kuhn

According to our database, Bernd Kuhn authored at least 6 papers between 2004 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.

Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn

J. Comput. Aided Mol. Des., 2022

2020

Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.

Andreas Tosstorff, Jason C. Cole, Robin Taylor, Seth F. Harris, Bernd Kuhn

J. Chem. Inf. Model., 2020

2018

D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

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

J. Comput. Aided Mol. Des., 2018

2011

Rationalizing Tight Ligand Binding through Cooperative Interaction Networks.

Bernd Kuhn, Julian E. Fuchs, Michael Reutlinger, Martin Stahl, Neil R. Taylor

J. Chem. Inf. Model., 2011

2008

Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis.

Ken A. Brameld, Bernd Kuhn, Deborah C. Reuter, Martin Stahl

J. Chem. Inf. Model., 2008

2004

Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations.

Bernd Kuhn, Peter A. Kollman, Martin Stahl

J. Comput. Chem., 2004