MTS-MD of Biomolecules Steered with 3D-RISM-KH Mean Solvation Forces Accelerated with Generalized Solvation Force Extrapolation
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- Igor Omelyan
- Department of Mechanical Engineering, University of Alberta, Mechanical Engineering Building 4-9, Edmonton, Alberta T6G 2G8, Canada
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- Andriy Kovalenko
- Department of Mechanical Engineering, University of Alberta, Mechanical Engineering Building 4-9, Edmonton, Alberta T6G 2G8, Canada
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 11 (4), 1875-1895, 2015-03-17
American Chemical Society (ACS)