Massova, Irina

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