Glycerol transport through the aquaglyceroporin GlpF: bridging dynamics and kinetics with atomic simulation-Reference-Cited by-同舟云学术

Glycerol transport through the aquaglyceroporin GlpF: bridging dynamics and kinetics with atomic simulation

Published:2019 Issue:29 Volume:10 Page:6957-6965
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Wang Dongdong¹²³⁴⁵,Weng Jingwei¹²³⁴⁵^ORCID,Wang Wenning¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. Institutes of Biomedical Sciences

3. Multiscale Research Institute of Complex Systems

4. Fudan University

5. Shanghai

Abstract

We present a strategy to obtained non-equilibrium transport kinetics of membrane channels through atomistic MD simulations. Using two kinetic models, the permeation fluxes of aquaglyceroporin GlpF under various concentration gradients were calculated.

Funder

National Natural Science Foundation of China

Ministry of Science and Technology of the People's Republic of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC01690B

Reference57 articles.

1. Modeling and Simulation of Ion Channels

2. Molecular Dynamics Simulation of Membrane Proteins