Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration

Journal of Physical Chemistry B

Volumn 118, Issue 17, 2014, Pages 4571-4581

  Maciejewski, Arkadiusz ^a,b   Pasenkiewicz Gierula, Marta ^b   Cramariuc, Oana ^a   Vattulainen, Ilpo ^a,c   Rog, Tomasz ^a  

^a TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CHAINS; CHEMICAL BONDS; CONTINUUM MECHANICS; LIPID BILAYERS; PHOSPHOLIPIDS; VAN DER WAALS FORCES;

ALL-ATOM FORCE FIELD; DIPALMITOYL PHOSPHATIDYLCHOLINE; OPLS-AA FORCE FIELD; OPTIMIZED PARAMETERS FOR LIQUID SIMULATIONS; PERTURBATION THEORY; PHOSPHATIDYLCHOLINE; PHOSPHATIDYLCHOLINE BILAYERS; POLARIZABLE CONTINUUM MODEL;

ATOMS;

LIPID BILAYER; PHOSPHATIDYLCHOLINE; WATER;

CHEMISTRY; CONFORMATION; LIPID BILAYER; MOLECULAR DYNAMICS; QUANTUM THEORY;

LIPID BILAYERS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PHOSPHATIDYLCHOLINES; QUANTUM THEORY; WATER;

EID: 84899792358     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5016627     Document Type: Article

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