Headgroup conformations of phospholipids from molecular dynamics simulation: Sampling challenges and comparison to experiment

Journal of Membrane Biology

Volumn 245, Issue 1, 2012, Pages 23-28

  Vogel, Alexander ^a   Feller, Scott E ^b  

^a UNIVERSITY OF LEIPZIG   (Germany)

^b WABASH COLLEGE   (United States)

Author keywords

Artificial bilayer membrane; Model membrane; Molecular dynamics; NMR study; Replica exchange

Indexed keywords

GLYCEROL; PHOSPHOLIPID;

ARTICLE; ATOM; CONFORMATION; INTERMETHOD COMPARISON; ISOMERIZATION; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; REPLICA EXCHANGE MOLECULAR DYNAMICS SIMULATION; TEMPERATURE SENSITIVITY;

CARBOHYDRATE CONFORMATION; GLYCEROL; ISOMERISM; MOLECULAR DYNAMICS SIMULATION; PHOSPHOLIPIDS; SOFTWARE; THERMODYNAMICS;

EID: 84857656647     PISSN: 00222631     EISSN: 14321424     Source Type: Journal    
DOI: 10.1007/s00232-011-9411-5     Document Type: Article

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