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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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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2014
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| Assuntos: | |
| Acesso em linha: | 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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