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Literature DB >> 23030207

Determining biomembrane bending rigidities from simulations of modest size.

Max C Watson¹, Erik G Brandt, Paul M Welch, Frank L H Brown.

Abstract

Thermal fluctuations of lipid orientation are analyzed to infer the bending rigidity of lipid bilayers directly from molecular simulations. Compared to the traditional analysis of thermal membrane undulations, the proposed method is reliable down to shorter wavelengths and allows for determination of the bending rigidity using smaller simulation boxes. The requisite theoretical arguments behind this analysis are presented and verified by simulations spanning a diverse range of lipid models from the literature.

Entities: Chemical Disease

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Year: 2012 PMID： 23030207 DOI： 10.1103/PhysRevLett.109.028102

Source DB: PubMed Journal: Phys Rev Lett ISSN： 0031-9007 Impact factor: 9.161

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Cited

35 in total

1. Peptide-Lipid Interaction Sites Affect Vesicles' Responses to Antimicrobial Peptides.

Authors: Yu Shi; Mingwei Wan; Lei Fu; Shan Zhang; Shiyuan Wang; Lianghui Gao; Weihai Fang
Journal: Biophys J Date: 2018-09-06 Impact factor: 4.033

2. Introductory lecture: basic quantities in model biomembranes.

Authors: John F Nagle
Journal: Faraday Discuss Date: 2013 Impact factor: 4.008

3. Testing procedures for extracting fluctuation spectra from lipid bilayer simulations.

Authors: Joseph C Albert; Lucas T Ray; John F Nagle
Journal: J Chem Phys Date: 2014-08-14 Impact factor: 3.488

4. Determination of bending rigidity and tilt modulus of lipid membranes from real-space fluctuation analysis of molecular dynamics simulations.

Authors: M Doktorova; D Harries; G Khelashvili
Journal: Phys Chem Chem Phys Date: 2017-06-28 Impact factor: 3.676

Review 5. Continuum descriptions of membranes and their interaction with proteins: Towards chemically accurate models.

Authors: David Argudo; Neville P Bethel; Frank V Marcoline; Michael Grabe
Journal: Biochim Biophys Acta Date: 2016-02-04

6. The Curvature Induction of Surface-Bound Antimicrobial Peptides Piscidin 1 and Piscidin 3 Varies with Lipid Chain Length.

Authors: B Scott Perrin; Alexander J Sodt; Myriam L Cotten; Richard W Pastor
Journal: J Membr Biol Date: 2014-10-08 Impact factor: 1.843

Determining biomembrane bending rigidities from simulations of modest size.

1. Peptide-Lipid Interaction Sites Affect Vesicles' Responses to Antimicrobial Peptides.

2. Introductory lecture: basic quantities in model biomembranes.

3. Testing procedures for extracting fluctuation spectra from lipid bilayer simulations.

4. Determination of bending rigidity and tilt modulus of lipid membranes from real-space fluctuation analysis of molecular dynamics simulations.

Review 5. Continuum descriptions of membranes and their interaction with proteins: Towards chemically accurate models.

6. The Curvature Induction of Surface-Bound Antimicrobial Peptides Piscidin 1 and Piscidin 3 Varies with Lipid Chain Length.

7. Molecular modeling of lipid membrane curvature induction by a peptide: more than simply shape.

Review 8. Membrane remodeling and mechanics: Experiments and simulations of α-Synuclein.

9. What are the true values of the bending modulus of simple lipid bilayers?

Review 10. Mechanical properties of lipid bilayers from molecular dynamics simulation.