Kathryn N. Rankin

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space

Imran Siddiqi, Marwen Naïm, Sathesh Bhat, 2007, J. Chem. Inf. Model..

On the transferability of hydration‐parametrized continuum electrostatics models to solvated binding calculations

Kathryn N. Rankin, Traian Sulea, Enrico O. Purisima, 2003, J. Comput. Chem..

A density functional theory study of the dimers of HX (X = F, Cl, and Br)

Kathryn N. Rankin, Russell J. Boyd, R. J. Boyd, 2001, J. Comput. Chem..

Density Functional Study of the Proline-Catalyzed Direct Aldol Reaction

James W. Gauld, Kathryn N. Rankin, Russell J. Boyd, 2002 .