Dissipative Particle Dynamics Simulation of Protein Folding in Explicit and Implicit Solvents: Coarse-Grained Model for Atomic Resolution-Reference-Cited by-同舟云学术

Dissipative Particle Dynamics Simulation of Protein Folding in Explicit and Implicit Solvents: Coarse-Grained Model for Atomic Resolution

Published:2024-07-25 Issue:15 Volume:20 Page:6904-6916
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Ruzhuang¹,Yang Li²^ORCID,Xiao Xingqing¹^ORCID,Liu Honglai³^ORCID

Affiliation:

1. Department of Chemistry, School of Chemistry and Chemical Engineering, Hainan University, Haikou City, Hainan Province 570228, PR China

2. Key Laboratory for Green Chemical Process of Ministry of Education, Hubei Key Laboratory of Novel Reactor Green Chemical Technology, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan 430205, PR China

3. Key Laboratory for Advanced Materials, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, PR China

Funder

Natural Science Foundation of Hainan Province

Hainan University

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00573

Reference33 articles.

1. Modification of messenger RNA by 2′-O-methylation regulates gene expression in vivo

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3. Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations

4. Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent

5. General Purpose Water Model Can Improve Atomistic Simulations of Intrinsically Disordered Proteins