The effects of implicit modeling of nonpolar solvation on protein folding simulations-Reference-Cited by-同舟云学术

The effects of implicit modeling of nonpolar solvation on protein folding simulations

Published:2018 Issue:27 Volume:20 Page:18410-18419
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shao Qiang¹²³⁴⁵^ORCID,Zhu Weiliang¹²³⁴⁵

Affiliation:

1. Drug Discovery and Design Center, CAS Key Laboratory of Receptor Research

2. Shanghai Institute of Materia Medica

3. Chinese Academy of Sciences

4. Shanghai

5. China

Abstract

Folding simulations of β-hairpin and α-helix bundle proteins with varied surface tension coefficients embedded in a popular SA model were performed to reveal the effects of implicit modeling of nonpolar solvation on protein folding.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03156H

Reference75 articles.

1. Biomolecular Simulation: A Computational Microscope for Molecular Biology

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3. Speed of Conformational Change: Comparing Explicit and Implicit Solvent Molecular Dynamics Simulations

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5. Recent advances in the development and application of implicit solvent models in biomolecule simulations

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