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Multiscale Simulations Reveal Distal Allosteric Reprogramming of Pocket Dynamics and Dual Hydrolytic Pathways in Engineered Methyl Parathion Hydrolase

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Year: 2026
Type: article
Source: The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.6c01732
Authors: Xiaoyuan Liu, Yuzhuang Fu, Jun Yu, Nan Lv, Zhiyang Zhang, Yuan Zhao, Yubing Si, Zexing Cao
Institutions: Xiamen University, China Pharmaceutical University, State Key Laboratory of Natural Medicine, Henan Normal University, Huzhou College, Henan University, First Affiliated Hospital of Henan University, Zhengzhou University
Language: English

Topic: Protein Structure and Dynamics
Subfield: Molecular Biology
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, Natural Science Foundation of Henan Province
Awards: G1289185710, G5002692191
OpenAlex ID: W7156116676
FWCI: 1.842
Cites: 65
Cited by: 1
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