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Current Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 0929-8673
ISSN (Online): 1875-533X

Editorial

The Applications of Molecular Dynamics Simulation in Studying Protein Structure and Dynamics

Author(s): Jingjing Guo and Huanxiang Liu

Volume 31, Issue 20, 2024

Published on: 05 April, 2024

Page: [2839 - 2840] Pages: 2

DOI: 10.2174/092986733120240405144035

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Guo, J.; Zhou, H-X. Protein allostery and conformational dynamics. Chem. Rev., 2016, 116, 6503-6515.
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Wang, L.; Zhang, Q.; Tong, H.H.Y.; Yao, X.; Liu, H.; Li, G. Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design. Wiley Interdisciplinary Reviews: Comp. Mol. Sci., 2024, 14(1), e1704.
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Xu, B.; Chen, Y.; Xue, W. Computational protein design - where it goes? Curr. Med. Chem., 2024, 31(20), 2841-2854.
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Zhong, H.; Liu, H.; Liu, H. Molecular mechanism of tau misfolding and aggregation: Insights from molecular dynamics simulation. Curr. Med. Chem., 2024, 31(20), 2855-2871.
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Shah, S.J.A.; Zhang, Q.; Guo, J.; Liu, H.; Liu, H.; Villà-Freixa, J. Identification of aggregation mechanism of acetylated PHF6* and PHF6 tau peptides based on molecular dynamics simulations and markov state modeling. ACS Chem. Neurosci., 2023, 14, 3959-3971.
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Su, J.; Fu, C.; Wang, S.; Chen, X.; Wang, R.; Shi, H.; Li, J.; Wang, X. Screening and activity evaluation of novel BCR-ABL/T315I tyrosine kinase inhibitors. Curr. Med. Chem., 2024, 31(20), 2872-2894.
[http://dx.doi.org/10.2174/0929867330666230519105900]

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