The influence of model building schemes and molecular dynamics sampling on QM-cluster models: the chorismate mutase case study is a research paper published in Physical Chemistry Chemical Physics (2024). On theSindex it has a DataRank of 0. It has been cited 16 times.
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National Science Foundation Graduate Research Fellowship Program
Grant: 1451514
Graduate Research Fellowship Porgram (GRFP)
Basic Energy Sciences
Grant: SBIR DE-SC0021568
Division of Biological Infrastructure
Grant: BIO-1846408
National Institute of General Medical Sciences
Grant: 1R35GM145206-01
Data Mining and Machine Learning Guided QM/MM and QM-Cluster Modeling of Enzymatic Reactions
National Science Foundation
Grant: 1846408
CAREER: Innovation: The Three R's: A Model-Building Toolkit for Rational, Reproducible, and Rigorous Computational Enzymology
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