The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations An Adaptive QM/MM Study With Model Systems

The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations : An Adaptive QM/MM Study With Model Systems

© 2025 The Author(s). Journal of Computational Chemistry published by Wiley Periodicals LLC.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 46(2025), 11 vom: 30. Apr., Seite e70109
Auteur principal: Paz, Holden (Auteur)
Autres auteurs: Beck, Silvan, Lee, Richmond, Ho, Junming, Yu, Haibo
Format: Article en ligne
Langue:English
Publié: 2025
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Adaptive QM/MM Combined QM/MM Minimum Energy Paths Potential of Mean Force QM Region Size
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