Work

Modeling Enzyme Reaction and Mutation by Direct Machine Learning/Molecular Mechanics Simulations

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c00149

Authors: Xinhu Sha, Zhuo Chen, Daiqian Xie, Yanzi Zhou

Institution: Nanjing University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: National Natural Science Foundation of China

Awards: G4628805535, 聚酯水解酶PETase的机理和进化改造的理论研究, G8005722316

OpenAlex ID: W4409760101

FWCI: 4.815

Cites: 80

Cited by: 13

Related to: 10