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Molecular Dynamics Simulations of Membrane Proteins: An Overview

Kenneth Goossens1, Hans De Winter1

  • 1Department of Pharmaceutical Sciences, Laboratory of Medicinal Chemistry , University of Antwerp , Universiteitsplein 1 , 2610 Wilrijk , Belgium.

Journal of Chemical Information and Modeling
|October 19, 2018
PubMed
Summary

Membrane protein simulations are increasingly vital for understanding protein function and validating structures. This review covers simulation methods, system setup, and future prospects for these powerful computational tools.

Keywords:
atomistic scalingcoarse-grained scalingmultiscale modelingphospholipidprotein−membrane molecular dynamics

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