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Mark Reboul
Mark Reboul
Schrödinger
Computational chemistry
Small molecule
Chemistry
Force field (physics)
Solvation
2
Papers
1749
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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
2019
Journal of Chemical Theory and Computation
Katarina Roos
Chuanjie Wu
Wolfgang Damm
Mark Reboul
James M. Stevenson
Chao Lu
Markus K. Dahlgren
Sayan Mondal
Wei Chen
Lingle Wang
Robert Abel
Richard A. Friesner
Edward Harder
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Citations (299)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2016
Journal of Chemical Theory and Computation
Edward Harder
Wolfgang Damm
Jon R. Maple
Chuanjie Wu
Mark Reboul
Jin Yu Xiang
Lingle Wang
Dmitry Lupyan
Markus K. Dahlgren
Jennifer L. Knight
Joseph W. Kaus
David S. Cerutti
Goran Krilov
William L. Jorgensen
Robert Abel
Richard A. Friesner
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Citations (1450)
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