Quality of force fields and sampling methods in simulating pepX peptides: a case study for intrinsically disordered proteins-Reference-Cited by-同舟云学术

Quality of force fields and sampling methods in simulating pepX peptides: a case study for intrinsically disordered proteins

Published:2021 Issue:3 Volume:23 Page:2430-2437
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Anhui¹²³⁴⁵^ORCID,Peng Xiangda⁶⁷⁸⁹¹⁰,Li Yan⁶⁷⁸⁹¹⁰,Zhang Dinglin⁶⁷⁸⁹¹⁰,Zhang Zhichao¹²³⁴⁵^ORCID,Li Guohui⁶⁷⁸⁹¹⁰

Affiliation:

1. State Key Laboratory of Fine Chemicals

2. School of Chemistry

3. Dalian University of Technology

4. Dalian 116024

5. China

6. Laboratory of Molecular Modeling and Design

7. State Key Laboratory of Molecular Reaction Dynamics

8. Dalian Institute of Chemical Physics

9. Chinese Academy of Sciences

10. Dalian 116023

Abstract

The conformations of five intrinsically disordered proteins were simulated with different force fields and enhanced sampling algorithms and were compared with experimental NMR observables.

Funder

National Natural Science Foundation of China

National Key Research and Development 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/2021/CP/D0CP05484D

Reference60 articles.

1. Intrinsically disordered proteins and structured proteins with intrinsically disordered regions have different functional roles in the cell

2. Classification of Intrinsically Disordered Regions and Proteins

3. Intrinsically disordered proteins in cellular signalling and regulation

4. A Comprehensive Survey of the Roles of Highly Disordered Proteins in Type 2 Diabetes

5. Intrinsic Disorder in Cell-signaling and Cancer-associated Proteins

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