Gregory A Ross

3PUBLICATIONS
3CO-AUTHORS
Computational chemistryBiomolecular modelling and design
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Publications (3)

|Oct 14, 2023
The maximal and current accuracy of rigorous protein-ligand binding free energy calculations.

Gregory A Ross, Chao Lu, Guido Scarabelli

|Jun 07, 2021
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.

Chao Lu, Chuanjie Wu, Delaram Ghoreishi

|Sep 21, 2020
Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo.

Gregory A Ross, Ellery Russell, Yuqing Deng

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