A polarizable force field of dipalmitoylphosphatidylcholine based on the classical drude model for molecular dynamics simulations of lipids

Journal of Physical Chemistry B

Volumn 117, Issue 31, 2013, Pages 9142-9160

  Chowdhary, Janamejaya ^a   Harder, Edward ^a   Lopes, Pedro E M ^b   Huang, Lei ^a   MacKerell, Alexander D ^b   Roux, Benoiît ^a  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL DRUDE MODEL; DIPALMITOYL PHOSPHATIDYLCHOLINE; ELECTRON DENSITY PROFILES; EXPERIMENTAL VALUES; MOLECULAR DYNAMICS SIMULATIONS; OPTIMIZATION OF PARAMETERS; POLARIZABLE FORCE FIELD; QUADRUPOLAR SPLITTING;

FUNCTIONAL GROUPS; MOLECULAR DYNAMICS; MONOLAYERS; OPTIMIZATION;

LIPIDS;

EID: 84881405929     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp402860e     Document Type: Article

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