Kollman, Peter A.

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

Kumar, S., Rosenberg, J. M., Bouzida, D., Swendsen, R. H., & Kollman, P. A. (1992) · Journal of Computational Chemistry

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 6,808

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

Cited by 4,978

Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding

Massova, I., & Kollman, P. A. (2000) · Perspectives in Drug Discovery and Design

Computational Drug Discovery MethodsAdvanced Chemical Physics Studies

Cited by 1,015

Electrostatic recognition between superoxide and copper, zinc superoxide dismutase

Getzoff, E. D., Tainer, J. A., Weiner, P. K., Kollman, P. A., Richardson, J. S., & Richardson, D. C. (1983) · Nature

Protein Structure and DynamicsMetal-Catalyzed Oxygenation Mechanisms

Cited by 554

The development/application of a ‘minimalist’ organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data

Kollman, P., Dixon, R., Cornell, W., Fox, T., Chipot, C., & Pohorille, A. (1997) · Computer Simulation of Biomolecular Systems

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 242