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Software . 2022
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Software . 2022
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SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 14 Dec 2022 English Publisher:Zenodo
Authors: De Bruyn, Emile;
Code repository: https://github.com/FZJ-JSC/speadi/tree/v1.0.0

doi: 10.5281/zenodo.7436713 , 10.5281/zenodo.7436712

SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions

Abstract

A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Documentation: fzj-jsc.github.io/speadi/ Host repository: gitlab.jsc.fz-juelich.de/slbio/speadi Public Mirror: github.com/FZJ-JSC/speadi

Related Organizations
Keywords

Intrinsically Disordered Proteins, Protein Analysis, Ion Analysis, TRRDF, Time Resolved Radial Distribution Function, Molecular Dynamics, Radial Distribution Function, Van Hove Function, RDF

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selected citations
These citations are derived from selected sources.
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
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