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Ellery Russell
Ellery Russell
Schrödinger
Molecular dynamics
Perturbation (astronomy)
Solubility
Computational chemistry
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3
Papers
72
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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.
2021
Journal of Chemical Theory and Computation
Chao Lu
Chuanjie Wu
Delaram Ghoreishi
Wei Chen
Lingle Wang
Wolfgang Damm
Gregory A. Ross
Markus K. Dahlgren
Ellery Russell
Christopher D. Von Bargen
Robert Abel
Richard A. Friesner
Edward Harder
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Citations (14)
Enhancing water sampling in free energy calculations with grand canonical Monte Carlo.
2020
Journal of Chemical Theory and Computation
Gregory A. Ross
Ellery Russell
Yuqing Deng
Chao Lu
Edward Harder
Robert Abel
Lingle Wang
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Citations (13)
Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges
2018
Journal of Chemical Theory and Computation
Wei Chen
Yuqing Deng
Ellery Russell
Yujie Wu
Robert Abel
Lingle Wang
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Citations (45)
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