Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acid Micellar System.

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作者： Mattia,Turchi ^[1] ; Abhishek A,Kognole ^[2] ; Anmol,Kumar ^[3] ; Qiong,Cai ^[3] ; Guoping,Lian ^[2] ; Alexander D,MacKerell ^[1]

作者单位： Unilever Research Colworth, Colworth Park, Sharnbrook, Bedfordshire MK44 1LQ, U.K. ^[1] Department of Chemical and Process Engineering, University of Surrey, Guildford GU27XH, U.K. ^[2] University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States. ^[3]

主题词脂肪酸类(Fatty Acids);微胶粒(Micelles);分子构象(Molecular Conformation);分子动力学模拟(Molecular Dynamics Simulation);十二烷硫酸钠(Sodium Dodecyl Sulfate);溶液(Solutions)

DOI 10.1021/acs.jpcb.9b11199

PMID 31955574

发布时间 2021-04-12

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