Applying physics-based scoring to calculate free energies of binding for single amino acid mutations in protein-protein complexes.

by Hege Beard, Anuradha Cholleti, David Pearlman, Woody Sherman, Kathryn A Loving
Published 2013-01-01

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

by Eelke B. Lenselink, Julien Louvel, Anna F. Forti, Jacobus P. D. van Veldhoven, Henk de Vries, Thea Mulder-Krieger, Fiona M. McRobb, Ana Negri, Joseph Goose, Robert Abel, Herman W. T. van Vlijmen, Lingle Wang, Edward Harder, Woody Sherman, Adriaan P. IJzerman, Thijs Beuming
Published 2016-08-01