"Modified Hamiltonian in FEP Calculations for Reducing the Computational ..."

Hiraku Oshima, Yuji Sugita (2022)

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DOI: 10.1021/ACS.JCIM.1C01532

access: open

type: Journal Article

metadata version: 2023-08-28

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Hiraku Oshima, Yuji Sugita:
Modified Hamiltonian in FEP Calculations for Reducing the Computational Cost of Electrostatic Interactions. J. Chem. Inf. Model. 62(11): 2846-2856 (2022)

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