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Dabble

Authors: Robin Betz;
Abstract

Dabble is a tool for building membrane protein systems. The ultimate goal of the project is to create an easy to use, one stop tool for system construction and parameterization. Some uses for Dabble: Prepare membrane protein systems by inserting them into a membrane Prepare solvated proteins by adding water Add ions to neutralize and/or to desired concentration Parameterize with CHARMM or AMBER parameter sets Outputs files for simulation with AMBER or CHARMM Automatic detection of post-translational modifications Modified amino acids made easy Ligands made easy! No more messing with atom names. Dabble can use CHARMM or AMBER parameters, and generate input files for simulating in NAMD, CHARMM, Anton, or Desmond. While Dabble can be run from the command-line, it also provides a powerful API for building and parameterizing systems. Dabble's full documentation is available at http://dabble.robinbetz.com

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Keywords

molecular dynamics, charmm, amber, lipid

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citations
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).
BIP!Citations provided by BIP!
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!
views
OpenAIRE UsageCountsViews provided by UsageCounts
downloads
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24
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164
3