Open AccessMechanistic Insights into Enzyme Catalysis from Explaining Machine-Learned Quantum Mechanical and Molecular Mechanical Minimum Energy Pathways
Author(s) -
Zilin Song,
Francesco Trozzi,
Hao Tian,
Chao Yin,
Peng Tao
Publication year - 2022
Publication title -
acs physical chemistry au
Language(s) - English
Resource type - Journals
ISSN - 2694-2445
DOI - 10.1021/acsphyschemau.2c00005
Subject(s) - quantum , chemistry , quantum chemistry , reactivity (psychology) , computer science , computational chemistry , catalysis , reaction mechanism , physics , organic chemistry , quantum mechanics , medicine , alternative medicine , pathology
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