Ellery Russell

Enhancing water sampling in free energy calculations with grand canonical Monte Carlo.

Gregory A Ross, Gregory A. Ross, Edward D Harder, 2020, Journal of chemical theory and computation.

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.

Gregory A Ross, Markus K. Dahlgren, Gregory A. Ross, 2021, Journal of chemical theory and computation.

Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges.

Robert Abel, Lingle Wang, Wei Chen, 2018, Journal of chemical theory and computation.