Literature DB >> 9390287

Length scales of lipid dynamics and molecular dynamics.

S E Feller1, R W Pastor.   

Abstract

Following a brief overview of length scales and system size in computer simulation, it is demonstrated that a simulation sized lipid bilayer (typically a 50 x 50 A2 patch) is in the regime where stretching dominates undulation, while the reverse holds for a flaccid macroscopic membrane. Then it is estimated that current system sizes of membrane simulations must be increased by at least a factor of 10 before thermodynamic limits are approached for quantities such as surface tension.

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Year:  1997        PMID: 9390287

Source DB:  PubMed          Journal:  Pac Symp Biocomput        ISSN: 2335-6928


  11 in total

1.  Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation.

Authors:  Gary Ayton; Alexander M Smondyrev; Scott G Bardenhagen; Patrick McMurtry; Gregory A Voth
Journal:  Biophys J       Date:  2002-03       Impact factor: 4.033

2.  Distribution of halothane in a dipalmitoylphosphatidylcholine bilayer from molecular dynamics calculations.

Authors:  L Koubi; M Tarek; M L Klein; D Scharf
Journal:  Biophys J       Date:  2000-02       Impact factor: 4.033

3.  Rotational and hinge dynamics of discoidal high density lipoproteins probed by interchain disulfide bond formation.

Authors:  Ling Li; Songlin Li; Martin K Jones; Jere P Segrest
Journal:  Biochim Biophys Acta       Date:  2011-10-19

4.  Assessment of the validity of the double superhelix model for reconstituted high density lipoproteins: a combined computational-experimental approach.

Authors:  Martin K Jones; Lei Zhang; Andrea Catte; Ling Li; Michael N Oda; Gang Ren; Jere P Segrest
Journal:  J Biol Chem       Date:  2010-10-25       Impact factor: 5.157

Review 5.  Modeling kinetics of subcellular disposition of chemicals.

Authors:  Stefan Balaz
Journal:  Chem Rev       Date:  2009-05       Impact factor: 60.622

6.  "Sticky" and "promiscuous", the yin and yang of apolipoprotein A-I termini in discoidal high-density lipoproteins: a combined computational-experimental approach.

Authors:  Martin K Jones; Feifei Gu; Andrea Catte; Ling Li; Jere P Segrest
Journal:  Biochemistry       Date:  2011-03-04       Impact factor: 3.162

7.  MD simulations suggest important surface differences between reconstituted and circulating spherical HDL.

Authors:  Jere P Segrest; Martin K Jones; Andrea Catte
Journal:  J Lipid Res       Date:  2013-07-15       Impact factor: 5.922

8.  Structures of discoidal high density lipoproteins: a combined computational-experimental approach.

Authors:  Feifei Gu; Martin K Jones; Jianguo Chen; James C Patterson; Andrea Catte; W Gray Jerome; Ling Li; Jere P Segrest
Journal:  J Biol Chem       Date:  2009-11-30       Impact factor: 5.157

9.  Dynamics of activation of lecithin:cholesterol acyltransferase by apolipoprotein A-I.

Authors:  Martin K Jones; Andrea Catte; Ling Li; Jere P Segrest
Journal:  Biochemistry       Date:  2009-12-01       Impact factor: 3.162

Review 10.  Structural basis for distinct functions of the naturally occurring Cys mutants of human apolipoprotein A-I.

Authors:  Olga Gursky; Martin K Jones; Xiaohu Mei; Jere P Segrest; David Atkinson
Journal:  J Lipid Res       Date:  2013-09-13       Impact factor: 5.922

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