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ZENODO
Dataset . 2016
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2016
License: CC BY
Data sources: ZENODO
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Simulation Files For Popc Lipid Membrane With Slipids-Vis Force Field For Gromacs Md Simulation Engine

Authors: Josef Melcr;

Simulation Files For Popc Lipid Membrane With Slipids-Vis Force Field For Gromacs Md Simulation Engine

Abstract

The tar.gz archive contains simulation input files that were used in the publication Transmembrane potential modeling: Comparison between methods of constant electric field and ion imbalance. http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b01202 The files are meant to be used with Gromacs simulation package (gromacs.org). A modified Slipids force field, Slipids-VIS, is introduced. It uses Virtual Interaction sites in order to speed up simulation. The technique is described in the aforementioned work. The archive contains working topology for POPC lipid molecules and 6fs timestep without any significant loss of accuracy.

{"references": ["Josef Melcr, Daniel Bonhenry, \u0160t\u011bp\u00e1n Timr, and Pavel Jungwirth, Journal of Chemical Theory and Computation Article ASAP, DOI: 10.1021/acs.jctc.5b01202", "J\u00e4mbeck, J. P. M.; Lyubartsev, A. P. J. Chem. Theory Comput.2012 , 8 , 2938-2948.", "J\u00e4mbeck, J. P. M.; Lyubartsev, A. P. J. Phys. Chem. B 2012 , 116 , 3164-3179."]}

Keywords

Slipids, Slipids-VIS, MD simulation, Gromacs topology, Virtual interaction sites

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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