Direct folding simulation of helical proteins using an effective polarizable bond force field-Reference-Cited by-同舟云学术

Direct folding simulation of helical proteins using an effective polarizable bond force field

Published:2017 Issue:23 Volume:19 Page:15273-15284
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duan Lili¹²³⁴⁵,Zhu Tong⁵⁶⁷⁴,Ji Changge⁵⁶⁷⁴⁸,Zhang Qinggang¹²³⁴,Zhang John Z. H.⁵⁶⁷⁴⁸^ORCID

Affiliation:

1. School of Physics and Electronics

2. Shandong Normal University

3. Jinan 250014

4. China

5. School of Chemistry and Molecular Engineering

6. East China Normal University

7. Shanghai 200062

8. NYU-ECNU Center for Computational Chemistry at NYU Shanghai

Abstract

Snapshots of the intermediate conformation of Trp-cage at various simulation times using AMBER03, EPB03, AMBER12SB, and EPB12SB. Here, the N terminal is always on the top.

Funder

Department of S and T for Social Development

National Natural Science Foundation 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/2017/CP/C7CP02101A

Reference63 articles.

1. Simulating Protein Fold Switching by Replica Exchange with Tunneling

2. Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution

3. Protein and Peptide Folding Explored with Molecular Simulations

4. Molecular Dynamics Simulations of the Protein Unfolding/Folding Reaction

5. Thermal Denaturing of Mutant Lysozyme with Both the OPLSAA and the CHARMM Force Fields

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