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Membrane permeability of small molecules from unbiased molecular dynamics simulations
Permeation of many small molecules through lipid bilayers can be directly observed in molecular dynamics simulations on the nano- and microsecond timescale. While unbiased simulations provide an unobstructed view of the permeation process, their feasibility for computing permeability coefficients de...
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| Publicado no: | J Chem Phys |
|---|---|
| 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/PMC7519415/ https://ncbi.nlm.nih.gov/pubmed/33003739 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0013429 |
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