Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields

Journal of Computational Chemistry

Volumn 33, Issue 2, 2012, Pages 141-152

  Lucas, Timothy R ^a   Bauer, Brad A ^a   Davis, Joseph E ^a   Patel, Sandeep ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

charge equilibrium; DPPC; force field; molecular dynamics; monolayers; polarizable

Indexed keywords

CHARGE EQUILIBRIUM; DPPC; DPPC MONOLAYERS; ELECTRONIC POLARIZATION; EXPERIMENTAL VALUES; FIXED CHARGES; FORCE FIELD; FORCE FIELDS; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE; POLARIZATION EFFECT; POTENTIAL DIFFERENCE; PURE WATER; SURFACE PRESSURES; WATER-AIR INTERFACE;

COMPUTER SIMULATION; DYNAMICS; MONOLAYERS; PHASE INTERFACES; POLARIZATION; SURFACE TENSION;

MOLECULAR DYNAMICS;

DIPALMITOYLPHOSPHATIDYLCHOLINE; WATER;

ARTICLE; ARTIFICIAL MEMBRANE; CHEMISTRY; MOLECULAR DYNAMICS;

1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE; MEMBRANES, ARTIFICIAL; MOLECULAR DYNAMICS SIMULATION; WATER;

EID: 82555169603     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21927     Document Type: Article

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