PMID- 19281167
OWN - NLM
STAT- MEDLINE
DCOM- 20090601
LR  - 20231105
IS  - 1520-6106 (Print)
IS  - 1520-5207 (Electronic)
IS  - 1520-5207 (Linking)
VI  - 113
IP  - 13
DP  - 2009 Apr 2
TI  - Hybrid coarse-graining approach for lipid bilayers at large length and time 
      scales.
PG  - 4413-24
LID - 10.1021/jp8087868 [doi]
AB  - A hybrid analytic-systematic (HAS) coarse-grained (CG) lipid model is developed 
      and employed in a large-scale simulation of a liposome. The methodology is termed 
      hybrid analytic-systematic because one component of the interaction between CG 
      sites is variationally determined from the multiscale coarse-graining (MS-CG) 
      methodology, whereas the remaining component utilizes an analytic potential. The 
      systematic component models the in-plane center-of-mass interaction of the lipids 
      as determined from an atomistic-level MD simulation of a bilayer. The analytic 
      component is based on the well-known Gay-Berne ellipsoid-of-revolution 
      liquid-crystal model and is designed to model the highly anisotropic interactions 
      at a highly coarse-grained level. The HAS CG approach is the first step in an 
      "aggressive" CG methodology designed to model multicomponent biological membranes 
      at very large length and time scales.
FAU - Ayton, Gary S
AU  - Ayton GS
AD  - Center for Biophysical Modeling and Simulation and Department of Chemistry, 
      University of Utah, Salt Lake City, 84112-0850, USA.
FAU - Voth, Gregory A
AU  - Voth GA
LA  - eng
GR  - R01 GM063796/GM/NIGMS NIH HHS/United States
GR  - R01 GM063796-08/GM/NIGMS NIH HHS/United States
GR  - R01-GM063796/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PL  - United States
TA  - J Phys Chem B
JT  - The journal of physical chemistry. B
JID - 101157530
RN  - 0 (Lipid Bilayers)
RN  - 0 (Liposomes)
SB  - IM
MH  - Computer Simulation
MH  - Lipid Bilayers/*chemistry
MH  - Liposomes/chemistry
MH  - Models, Molecular
MH  - Molecular Conformation
MH  - Time Factors
PMC - PMC2689158
MID - NIHMS103366
EDAT- 2009/03/14 09:00
MHDA- 2009/06/02 09:00
PMCR- 2010/04/02
CRDT- 2009/03/14 09:00
PHST- 2009/03/14 09:00 [entrez]
PHST- 2009/03/14 09:00 [pubmed]
PHST- 2009/06/02 09:00 [medline]
PHST- 2010/04/02 00:00 [pmc-release]
AID - 10.1021/jp8087868 [doi]
PST - ppublish
SO  - J Phys Chem B. 2009 Apr 2;113(13):4413-24. doi: 10.1021/jp8087868.