Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs

Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs

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Bibliographic Details
Main Authors:	Yiqi Chen, Jian Yang
Format:	Article
Language:	English
Published:	American Chemical Society 2025-05-01
Series:	ACS Omega
Online Access:	https://doi.org/10.1021/acsomega.5c00151
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