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Titolo:
A coarse grain model for phospholipid simulations
Autore:
Shelley, JC; Shelley, MY; Reeder, RC; Bandyopadhyay, S; Klein, ML;
Indirizzi:
Procter & Gamble Co, Miami Valley Labs, Cincinnati, OH 45253 USA Procter &Gamble Co Cincinnati OH USA 45253 abs, Cincinnati, OH 45253 USA Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA Miami Univ Oxford OH USA 45056 Dept Chem & Biochem, Oxford, OH 45056 USA Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA Univ Penn Philadelphia PA USA 19104 Modeling, Philadelphia, PA 19104 USA
Titolo Testata:
JOURNAL OF PHYSICAL CHEMISTRY B
fascicolo: 19, volume: 105, anno: 2001,
pagine: 4464 - 4470
SICI:
1520-6106(20010517)105:19<4464:ACGMFP>2.0.ZU;2-2
Fonte:
ISI
Lingua:
ENG
Soggetto:
DIPALMITOYL PHOSPHATIDYLCHOLINE BILAYER; PHASE-TRANSITIONS; COMPUTER-SIMULATION; MEMBRANE-FUSION; ORGANIZATION; MECHANISM; TENSION; LIPIDS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
26
Recensione:
Indirizzi per estratti:
Indirizzo: Shelley, JC Procter & Gamble Co, Miami Valley Labs, POB 538707, Cincinnati, OH 45253 USA Procter & Gamble Co POB 538707 Cincinnati OH USA 45253 253 USA
Citazione:
J.C. Shelley et al., "A coarse grain model for phospholipid simulations", J PHYS CH B, 105(19), 2001, pp. 4464-4470

Abstract

A coarse grain model for phospholipids was systematically parametrized to mimic structural properties obtained from an atomistic simulation of a dimyristoylphosphatidylcholine bilayer. The model semiquantitatively reproducesthe cross-sectional structure of a preassembled phospholipid bilayer obtained from an atomistic simulation; a property that was not directly fit. Themodel is sufficiently fast to permit the simulation of the self-assembly of the bilayer starting from a random configuration.

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Documento generato il 31/03/20 alle ore 22:35:19