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Free energy of hydrophilic and hydrophobic pores in lipid bilayers by free energy perturbation of a restraint
The free energy of pore formation in lipid bilayers has been previously calculated using a variety of reaction coordinates. Here, we use free energy perturbation of a cylindrical lipid exclusion restraint to compute the free energy profile as a function of pore radius in dimyristoylphosphatidylcholi...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7928062/ https://ncbi.nlm.nih.gov/pubmed/32770888 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0016682 |
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