"Perturbation Free-Energy Toolkit: An Automated Alchemical Topology Builder."

Drazen Petrov (2021)

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DOI: 10.1021/ACS.JCIM.1C00428

access: open

type: Journal Article

metadata version: 2023-05-13

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Drazen Petrov:
Perturbation Free-Energy Toolkit: An Automated Alchemical Topology Builder. J. Chem. Inf. Model. 61(9): 4382-4390 (2021)

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