Caricamento...

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...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Pubblicato in:J Chem Phys
Autori principali: Krämer, Andreas, Ghysels, An, Wang, Eric, Venable, Richard M., Klauda, Jeffery B., Brooks, Bernard R., Pastor, Richard W.
Natura: Artigo
Lingua:Inglês
Pubblicazione: AIP Publishing LLC 2020
Soggetti:
Accesso online: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
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !