Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis-Reference-Cited by-同舟云学术

Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis

Published:2023-09-23 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Bao Huayin¹,He Weikai²,Chen Jianzhong²^ORCID

Affiliation:

1. School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, China

2. School of Science, Shandong Jiaotong University, Jinan, China

Funder

Shandong Jiaotong University

Natural Science Foundation of Shandong Province

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2260486

Reference88 articles.

1. PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA

2. Essential dynamics of proteins

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

4. Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F

5. Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations

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