Structures, dynamics, and water permeation free energy across bilayers of lipid a and its analog studied with molecular dynamics simulation

Journal of Physical Chemistry B

Volumn 118, Issue 46, 2014, Pages 13202-13209

  Wei, Tao ^a   Huang, Tiefan ^b   Qiao, Baofu ^c   Zhang, Mo ^b   Ma, Heng ^a   Zhang, Lin ^b  

^a Lamar University   (United States)

^b ZHEJIANG UNIVERSITY   (China)

^c Northwestern University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHAINS; DIFFUSION; DRUG DELIVERY; FREE ENERGY; MOLECULAR DYNAMICS; PERMEATION; STABILITY; STRUCTURAL PROPERTIES; SUPRAMOLECULAR CHEMISTRY; WATER TREATMENT;

AQUEOUS ENVIRONMENT; FREE ENERGY COMPUTATIONS; FUNDAMENTAL STUDIES; MOLECULAR DYNAMICS SIMULATIONS; SIMULATION ACCURACY; STRUCTURAL STABILITIES; STRUCTURE FACTORS; SUPRAMOLECULAR LAYERS;

LIPID BILAYERS;

DIPALMITOYLPHOSPHATIDYLCHOLINE; LIPID A; LIPID BILAYER; WATER;

CHEMISTRY; LIPID BILAYER; METABOLISM; MOLECULAR DYNAMICS; PH; TEMPERATURE; THERMODYNAMICS;

1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE; HYDROGEN-ION CONCENTRATION; LIPID A; LIPID BILAYERS; MOLECULAR DYNAMICS SIMULATION; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 84912527912     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp508549m     Document Type: Article

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