Polarized protein-specific charges from atoms-in-molecule electron density partitioning

by Lee, Louis P., Cole, Daniel J., Skylaris, Chris-Kriton, Jorgensen, William L., Payne, Mike C.
Published 2013

Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.

by Heady, Lucy, Fernandez-Serra, Marivi, Mancera, Ricardo L., Joyce, Sian, Venkitaraman, Ashok R., Artacho, Emilio, Skylaris, Chris-Kriton, Colombi Ciacchi, Lucio, Payne, Mike C.
Published 2006

Interrogation of the protein-protein interactions between human BRCA2 BRC repeats and RAD51 reveals atomistic determinants of affinity

by Kowalczykowski, Stephen Charles, Cole, Daniel J., Rajendra, Eason, Roberts-Thomson, Meredith, Hardwick, Bryn, McKenzie, Grahame J., Payne, Mike C., Venkitaraman, Ashok R., Skylaris, Chris-Kriton
Published 2011