Comparison of umbrella sampling and steered molecular dynamics methods for computing free energy profiles of aromatic substrates through phospholipid bilayers-Reference-Cited by-同舟云学术

Comparison of umbrella sampling and steered molecular dynamics methods for computing free energy profiles of aromatic substrates through phospholipid bilayers

Published:2020-07-21 Issue:3 Volume:153 Page:034115
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Noh Sang Young¹^ORCID,Notman Rebecca¹^ORCID

Affiliation:

1. Department of Chemistry, University of Warwick, Coventry, United Kingdom

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0016114

Reference48 articles.

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2. Membranes are more mosaic than fluid

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4. Molecular Simulation of the Concentration-Dependent Interaction of Hydrophobic Drugs with Model Cellular Membranes

5. Getting Across the Cell Membrane: An Overview for Small Molecules, Peptides, and Proteins

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