"Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD."

Haochuan Chen et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00745

access: closed

type: Journal Article

metadata version: 2021-10-14

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Haochuan Chen, Julio D. C. Maia, Brian K. Radak, David J. Hardy, Wensheng Cai, Christophe Chipot, Emad Tajkhorshid:
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. J. Chem. Inf. Model. 60(11): 5301-5307 (2020)

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