Partitioning of Benzoic Acid into 1,2-Dimyristoyl

Autor:	Christopher M, Siwy, Bryan M, Delfing, Amy K, Smith, Dmitri K, Klimov
Rok vydání:	2020
Předmět:	Blood-Brain Barrier Phosphorylcholine Lipid Bilayers Benzoic Acid Molecular Dynamics Simulation Dimyristoylphosphatidylcholine
Zdroj:	Journal of chemical information and modeling. 60(8)
ISSN:	1549-960X
Popis:	Using an all-atom explicit water model and replica exchange umbrella sampling simulations, we investigated the molecular mechanisms of benzoic acid partitioning into two model lipid bilayers. The first was formed of 1,2-dimyristoyl
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::7b43f8252344d42c763ee92d1b1367e4 https://pubmed.ncbi.nlm.nih.gov/32672960 Zobrazit plný text záznamu