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International Journal for Multiscale Computational Engineering

Published 6 issues per year

ISSN Print: 1543-1649

ISSN Online: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

Indexed in

Simulation of Biomolecular Systems at Multiple Length and Time Scales

Volume 2, Issue 2, 2004, 23 pages
DOI: 10.1615/IntJMultCompEng.v2.i2.80
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ABSTRACT

A novel multiscale simulation methodology is presented that is capable of modeling complex biomolecular systems across disparate time and length-scales. The methodology presented here employs novel mesoscopic simulation methods combined with nonequilibrium molecular dynamics at the atomistic level. The resulting disparate length and time scales associated with biological assemblies are thus effectively bridged. As an example, results for the multiscale simulation of Large Unilamellar Vesicles (LUVs) immersed in solvent are presented. It is found that in all cases the LUVs slightly contract to a smaller radius, as compared to the initial perfectly round state, to one where thermal undulations persist. In cases where the effective osmotic stress is altered, the LUVs are observed to expand or contract mesoscopically.

CITED BY
  1. Ayton Gary S., McWhirter J. Liam, Voth Gregory A., A second generation mesoscopic lipid bilayer model: Connections to field-theory descriptions of membranes and nonlocal hydrodynamics, The Journal of Chemical Physics, 124, 6, 2006. Crossref

  2. Ayton Gary S., McWhirter J. Liam, McMurtry Patrick, Voth Gregory A., Coupling Field Theory with Continuum Mechanics: A Simulation of Domain Formation in Giant Unilamellar Vesicles, Biophysical Journal, 88, 6, 2005. Crossref

  3. Chu J.-W., Ayton G. S., Izvekov S., Voth G. A., Emerging methods for multiscale simulation of biomolecular systems, Molecular Physics, 105, 2-3, 2007. Crossref

  4. Ayton Gary S., Voth Gregory A., Multiscale simulation of protein mediated membrane remodeling, Seminars in Cell & Developmental Biology, 21, 4, 2010. Crossref

  5. Ayton Gary S., Voth Gregory A., Multiscale simulation of transmembrane proteins, Journal of Structural Biology, 157, 3, 2007. Crossref

  6. Ayton Gary S., Izvekov Sergei, Noid W.G., Voth Gregory A., Chapter 7 Multiscale Simulation of Membranes and Membrane Proteins: Connecting Molecular Interactions to Mesoscopic Behavior, in Computational Modeling of Membrane Bilayers, 60, 2008. Crossref

  7. Ayton Gary S., Blood Philip D., Voth Gregory A., Membrane Remodeling from N-BAR Domain Interactions: Insights from Multi-Scale Simulation, Biophysical Journal, 92, 10, 2007. Crossref

  8. Ayton Gary S., Voth Gregory A., Mesoscopic Lateral Diffusion in Lipid Bilayers, Biophysical Journal, 87, 5, 2004. Crossref

  9. Stottrup Benjamin L., Keller Sarah L., Phase Behavior of Lipid Monolayers Containing DPPC and Cholesterol Analogs, Biophysical Journal, 90, 9, 2006. Crossref

  10. Badu Shyam, Melnik Roderick, Prabhakar Sanjay, RNA Nanostructures in Physiological Solutions: Multiscale Modeling and Applications, in Physics of Liquid Matter: Modern Problems, 171, 2015. Crossref

  11. Ayton Gary S., Voth Gregory A., Hybrid Coarse-Graining Approach for Lipid Bilayers at Large Length and Time Scales, The Journal of Physical Chemistry B, 113, 13, 2009. Crossref

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