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Titolo:
MOLECULAR-DYNAMICS SIMULATION OF HYDRATED PHOSPHOLIPID-BILAYERS
Autore:
KOTHEKAR V;
Indirizzi:
ALL INDIA INST MED SCI,DEPT BIOPHYS,ANSARI NAGAR NEW DELHI 110029 INDIA
Titolo Testata:
Indian Journal of Biochemistry & Biophysics
fascicolo: 6, volume: 33, anno: 1996,
pagine: 431 - 447
SICI:
0301-1208(1996)33:6<431:MSOHP>2.0.ZU;2-8
Fonte:
ISI
Lingua:
ENG
Soggetto:
NUCLEAR MAGNETIC-RESONANCE; SODIUM OCTANOATE MICELLE; LIPID BILAYER; COMPUTER-SIMULATION; MONTE-CARLO; HEAD GROUP; LIQUID-CRYSTAL; X-RAY; PHOSPHATIDYLCHOLINE BILAYERS; CONFORMATIONAL DISORDER;
Tipo documento:
Review
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
124
Recensione:
Indirizzi per estratti:
Citazione:
V. Kothekar, "MOLECULAR-DYNAMICS SIMULATION OF HYDRATED PHOSPHOLIPID-BILAYERS", Indian Journal of Biochemistry & Biophysics, 33(6), 1996, pp. 431-447

Abstract

Understanding of microscopic behaviour of biological membrane is crucial for designing of molecules to control transport properties of the membranes. Phospholipid-water form a good model system to study ligandinduced structural and dynamical changes in membrane. The review has its main focus on molecular dynamics (MD) simulation of phospholipid bilayers. A brief summary of the current status of structure of phospholipid membranes based on different physico-chemical measurements is given. We discuss here mainly results of MD simulations in the recent years on hydrated phospholipid bilayers and their interaction with ligands. Simulation parameters as: choice of initial system, force fields, protocols for simulation are compared. Main results on: order parameter, head group and chain conformation, water penetration profile, chaintilts, pair-correlation function between atoms of lipid and water, diffusion of ions and ligands are discussed. The review gives application and limitation of MD method for studying lipid water system.

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Documento generato il 29/09/20 alle ore 20:46:49