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Gregory A Ross

3PUBLICATIONS

3CO-AUTHORS

Computational chemistryBiomolecular modelling and design

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Publications (3)

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|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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Frequent Collaborators

3 joint publications

Lingle Wang

2 joint publications

Edward D Harder

1 joint publications

Richard A Friesner

Frequent Collaborators

3 joint publications

Lingle Wang

2 joint publications

Edward D Harder

1 joint publications

Richard A Friesner

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