Extensive tests and evaluation of the CHARMM36IDPSFF force field for intrinsically disordered proteins and folded proteins-Reference-Cited by-同舟云学术

Extensive tests and evaluation of the CHARMM36IDPSFF force field for intrinsically disordered proteins and folded proteins

Published:2019 Issue:39 Volume:21 Page:21918-21931
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Hao¹²³⁴⁵,Song Dong¹²³⁴⁵^ORCID,Zhang Yangpeng¹²³⁴⁵,Yang Sheng¹²³⁴⁵,Luo Ray⁶⁷⁸⁹¹⁰,Chen Hai-Feng¹²³⁴⁵^ORCID

Affiliation:

1. State Key Laboratory of Microbial Metabolism

2. Department of Bioinformatics and Biostatistics

3. SJTU-Yale Joint Center for Biostatistics

4. National Experimental Teaching Center for Life Sciences and Biotechnology

5. School of Life Sciences and Biotechnology

6. Departments of Molecular Biology and Biochemistry

7. Chemical Engineering and Materials Science

8. Biomedical Engineering

9. University of California

10. Irvine

Abstract

C36IDPSFF force field performs well in both disordered proteins and folded proteins, and achieves similar accuracy to a99SB-disp in relatively short-time simulations.

Funder

Shanghai Jiao Tong University

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03434J

Reference71 articles.

1. Mapping the Potential Energy Landscape of Intrinsically Disordered Proteins at Amino Acid Resolution

2. Intrinsic protein disorder in human pathways

3. Intrinsically unstructured proteins and their functions

4. Intrinsically disordered proteins in cellular signalling and regulation

5. Alzheimer’s-disease-associated conformation of intrinsically disordered tau protein studied by intrinsically disordered protein liquid-phase competitive enzyme-linked immunosorbent assay

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