Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study. - Andrea Bortolato; Benjamin G. Tehan; Michael S. Bodnarchuk; Jonathan W. Essex; Jonathan S. Mason (J. Chem. Inf. Model., 2013)

Strategies to Calculate Water Binding Free Energies in Protein-Ligand Complexes. - Michael S. Bodnarchuk; Russell C. Viner; Julien Michel; Jonathan W. Essex (J. Chem. Inf. Model., 2014)

ProtoCaller: Robust Automation of Binding Free Energy Calculations. - Miroslav Suruzhon; Tharindu Senapathi; Michael S. Bodnarchuk; Russell C. Viner; Ian D. Wall; Christopher B. Barnett; Kevin J. Naidoo; Jonathan W. Essex (J. Chem. Inf. Model., 2020)

Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. - Dusan Petrovic; James S. Scott; Michael S. Bodnarchuk; Olivier Lorthioir; Scott Boyd; George M. Hughes; Jordan Lane; Allan Wu; David Hargreaves; James Robinson; Jens Sadowski (J. Chem. Inf. Model., 2022)