"Performing solvation free energy calculations in LAMMPS using the ..."

Vikram Khanna et al. (2020)

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DOI: 10.1007/S10822-020-00303-3

access: closed

type: Journal Article

metadata version: 2020-06-15

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Vikram Khanna, Jacob I. Monroe, Michael F. Doherty, Baron Peters:
Performing solvation free energy calculations in LAMMPS using the decoupling approach. J. Comput. Aided Mol. Des. 34(6): 641-646 (2020)

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