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Recent Open Issues in Coarse Grained Force Fields

Authors :
Lucas Miguel Pereira Souza
André S. Pimentel
Felipe Rodrigues de Souza
Source :
Journal of Chemical Information and Modeling. 60:5881-5884
Publication Year :
2020
Publisher :
American Chemical Society (ACS), 2020.

Abstract

This viewpoint intends to show recent open issues of using coarse grained models in molecular dynamics simulation. It reviews the current knowledge of the comparison between experimental and simulation data of structural and physical chemical properties that depend on the hydrophilic and hydrophobic behavior of the molecule.

Details

ISSN :
1549960X and 15499596
Volume :
60
Database :
OpenAIRE
Journal :
Journal of Chemical Information and Modeling
Accession number :
edsair.doi.dedup.....1293d7f27961ab2bb21125aae445e583
Full Text :
https://doi.org/10.1021/acs.jcim.0c01265