"The Effects of Conformational Sampling and QM Region Size in QM/MM ..."

Holden Paz et al. (2025)

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DOI: 10.1002/JCC.70109

access: closed

type: Journal Article

metadata version: 2025-09-06

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Holden Paz, Silvan Beck, Richmond Lee, Junming Ho, Haibo Yu:
The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations: An Adaptive QM/MM Study With Model Systems. J. Comput. Chem. 46(11) (2025)

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