A consistent potential energy parameter set for lipids: Dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field

European Biophysics Journal

Volumn 32, Issue 1, 2003, Pages 67-77

  Chandrasekhar, Indira ^a   Kastenholz, Mika ^a   Lins, Roberto D ^a   Oostenbrink, Chris ^a   Schuler, Lukas D ^a   Tieleman, D Peter ^b   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF CALGARY   (Canada)

Author keywords

GROMOS; Lipids; Molecular dynamics simulation; Potential energy parameters

Indexed keywords

ALIPHATIC COMPOUND; ALKANE DERIVATIVE; CARBON; CARBONYL DERIVATIVE; DIPALMITOYLPHOSPHATIDYLCHOLINE; ESTER DERIVATIVE; LIPID; PHOSPHATIDYLCHOLINE; WATER;

ARTICLE; BILAYER MEMBRANE; CALCULATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CRYSTAL; DIFFUSION COEFFICIENT; ELECTRIC POTENTIAL; ENERGY; EVALUATION; FORCE; LIPID MEMBRANE; LIPID TRANSPORT; LIQUID; MEMBRANE FLUIDITY; MOLECULAR DYNAMICS; PARAMETER; PHASE TRANSITION; PRESSURE; SIMULATION; STRUCTURE ANALYSIS;

EID: 0037569250     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-002-0269-4     Document Type: Article

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