Effects of protein binding on a lipid bilayer containing local anesthetic articaine, and the potential of mean force calculation: A molecular dynamics simulation approach

Journal of Molecular Modeling

Volumn 19, Issue 9, 2013, Pages 3831-3842

  Amjad Iranagh, Sepideh ^a   Yousefpour, Abbas ^a   Haghighi, Parto ^b   Modarress, Hamid ^a,c  

^a AMIRKABIR UNIVERSITY OF TECHNOLOGY   (Iran)

^b UNIVERSITY OF KASHAN   (Iran)

^c 424 Hafez Ave ^*  (Iran)

Author keywords

Articaine; Lipid bilayer; Molecular dynamics; PMF; Transmembrane protein

Indexed keywords

ANESTHETIC AGENT; ARTICAINE; DIMYRISTOYLPHOSPHATIDYLCHOLINE;

ARTICLE; CALCULATION; COMPUTER PROGRAM; DIFFUSION COEFFICIENT; DRUG DIFFUSION; ELECTRIC POTENTIAL; ENERGY; FORCE; LIPID BILAYER; MEMBRANE TRANSPORT; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; STATIC ELECTRICITY;

ANESTHETICS, LOCAL; CARTICAINE; DIFFUSION; DIMYRISTOYLPHOSPHATIDYLCHOLINE; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIPID BILAYERS; MEMBRANE PROTEINS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEINS; STATIC ELECTRICITY; WATER;

EID: 84883039259     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1917-6     Document Type: Article

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