Modeling the Electrostatic Potential of Asymmetric Lipopolysaccharide Membranes: The MEMPOT Algorithm Implemented in DelPhi

Four chemotypes of the Rough lipopolysaccharides (LPS) membrane from Pseudomonas aeruginosa were investigated by a combined approach of explicit water molecular dynamics (MD) simulations and Poisson-Boltzmann continuum electrostatics with the goal to deliver the distribution of the electrostatic pot...

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Bibliographic Details
Main Authors:	Dias, Roberta P., Lin, Lin, Soares, Thereza A., Alexov, Emil
Format:	Artigo
Language:	Inglês
Published:	2014
Subjects:	Article
Online Access:	https://ncbi.nlm.nih.gov/pmc/articles/PMC4057312/ https://ncbi.nlm.nih.gov/pubmed/24799021 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23632
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Modeling the Electrostatic Potential of Asymmetric Lipopolysaccharide Membranes: The MEMPOT Algorithm Implemented in DelPhi

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