Kuhn, Bernd

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

Kollman, P. A., Massova, I., Reyes, C., Kuhn, B., Huo, S., Chong, L., Lee, M., Lee, T., Duan, Y., Wang, W., et al. (2000) · Accounts of Chemical Research

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

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D3R grand challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies.

Gaieb, Z., Liu, S., Gathiaka, S., Chiu, M., Yang, H., Shao, C., Feher, V. A., Walters, W. P., Kuhn, B., Rudolph, M. G., et al. (2018) · Journal of Computer-Aided Molecular Design

Computational Drug Discovery MethodsProtein Structure and Dynamics

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