Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine)

Journal of Physical Chemistry B

Volumn 112, Issue 42, 2008, Pages 13433-13442

  Krishnamurty, S ^a   Stefanov, M ^b   Mineva, T ^a   Begu S ^a   Devoisselle, J M ^a   Goursot, A ^a   Zhu, R ^b   Salahub, D R ^c  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b INSTITUTE OF CATALYSIS   (Bulgaria)

^c UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; ISOMERS; MOLECULAR SPECTROSCOPY; MOLECULES; NUCLEAR MAGNETIC RESONANCE; PHOSPHOLIPIDS; PROBABILITY DENSITY FUNCTION;

CONFORMATIONAL ANALYSES; CONFORMATIONAL SPACES; CONSTRAINT FORCES; DIMYRISTOYL; DISPERSION ENERGIES; DMPC BILAYERS; EXPERIMENTAL DATUMS; GEOMETRIC PROFILES; PHOSPHATIDYLCHOLINE; PHOSPHOLIPID MOLECULES; STRUCTURAL CHARACTERISTICS; TORSION ANGLES; TOTAL ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 55649099854     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804934d     Document Type: Article

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