"Determination of Hydrogen Bonds in GROMACS: A New Implementation to ..."

Sergey Gorelov et al. (2024)

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DOI: 10.1021/ACS.JCIM.3C02087

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type: Journal Article

metadata version: 2025-05-31

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Sergey Gorelov, Anatoly Titov, Olga Tolicheva, Andrey Konevega, Alexey Shvetsov:
Determination of Hydrogen Bonds in GROMACS: A New Implementation to Overcome Memory Limitation. J. Chem. Inf. Model. 64(16): 6241-6246 (2024)

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