Binding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations-Reference-Cited by-同舟云学术

Binding modes of phosphotriesterase-like lactonase complexed with δ-nonanoic lactone and paraoxon using molecular dynamics simulations

Published:2016-03-04 Issue:2 Volume:35 Page:273-286
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Guan Shanshan¹²,Zhao Li¹,Jin Hanyong¹,Shan Ning³,Han Weiwei¹,Wang Song²,Shan Yaming¹

Affiliation:

1. National Engineering Laboratory For AIDS Vaccine, Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, School of Life Sciences, Jilin University, Changchun 130012, China

2. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China

3. Editorial Department of Journal of Jilin University (Science Edition), Changchun, China

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2016.1142899

Reference47 articles.

1. The Latent Promiscuity of Newly Identified Microbial Lactonases Is Linked to a Recently Diverged Phosphotriesterase

2. Reconstructing a Missing Link in the Evolution of a Recently Diverged Phosphotriesterase by Active-Site Loop Remodeling

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

4. The iRMSD: a local measure of sequence alignment accuracy using structural information

5. Molecular dynamics with coupling to an external bath

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Multistate multiscale docking study of the hydrolysis of toxic nerve agents by phosphotriesterase;Electronic Structure;2023-08-08

2. 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

3. Computational Study on the Effect of Inactivating/Activating Mutations on the Inhibition of MEK1 by Trametinib;International Journal of Molecular Sciences;2020-03-21

4. How oncogenic mutations activate human MAP kinase 1 (MEK1): a molecular dynamics simulation study;Journal of Biomolecular Structure and Dynamics;2019-11-06

5. The mutant T379L of novel aspartokinase from Corynebacterium pekinense: A combined experimental and molecular dynamics simulation study;Process Biochemistry;2019-08