Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations-Reference-Cited by-同舟云学术

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Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations

Published:2015-07-08 Issue:4 Volume:34 Page:749-761
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Wang Dongmei,Jin Hanyong,Wang Junling,Guan Shanshan,Zhang Zuoming,Han Weiwei

Funder

Major scientific research projects of Jilin Province

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

http://www.tandfonline.com/doi/pdf/10.1080/10256018808623883

Reference50 articles.

1. Novel 1-[4-(Aminosulfonyl)phenyl]-1H-1,2,4-triazole derivatives with remarkable selective COX-2 inhibition: Design, synthesis, molecular docking, anti-inflammatory and ulcerogenicity studies

2. H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

3. Voronoi diagrams—a survey of a fundamental geometric data structure

4. Oligopeptidases, and the Emergence of the Prolyl Oligopeptidase Family

5. Crystal Structure of an Acylpeptide Hydrolase/Esterase from Aeropyrum pernix K1

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2. Theoretical Studies on Selectivity of HPK1/JAK1 Inhibitors by Molecular Dynamics Simulations and Free Energy Calculations;International Journal of Molecular Sciences;2023-01-31

3. 3,5,6-trichloro-2-pyridinol intensifies the effect of chlorpyrifos on the paracrine function of Sertoli cells by preventing binding of testosterone and the androgen receptor;Toxicology;2021-08

4. TCP structure intensified the chlorpyrifos-induced decrease in testosterone synthesis via LH-LHR-PKA-CREB-Star pathway;Science of The Total Environment;2020-07

5. Molecular mechanisms of metal ions in regulating the catalytic efficiency of D-psicose 3-epimerase revealed by multiple short molecular dynamic simulations and free energy predictions;Journal of Biomolecular Structure and Dynamics;2020-03-23

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