[ACS] gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS

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journal:Journal of Chemical Theory and Computation

Authors:Mario S. Valdés-Tresanco; Mario E. Valdés-Tresanco; Pedro A. Valiente; Ernesto Moreno

Published date:2021-10-12

DOI:10.1021/acs.jctc.1c00645

PDF link:https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00645

Article link:https://doi.org/10.1021/acs.jctc.1c00645

Article Source:American Chemical Society (ACS)


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