articleBioinformaticsApr 5, 2011HYBRID OA

ProDy : Protein Dynamics Inferred from Theory and Experiments

ABAhmet BakanLMLidio MeirelesİBİvet Bahar

University of Pittsburgh

PubMed
Indexed incrossrefdoajpubmed

Abstract

SUMMARY: We developed a Python package, ProDy, for structure-based analysis of protein dynamics. ProDy allows for quantitative characterization of structural variations in heterogeneous datasets of structures experimentally resolved for a given biomolecular system, and for comparison of these variations with the theoretically predicted equilibrium dynamics. Datasets include structural ensembles for a given family or subfamily of proteins, their mutants and sequence homologues, in the presence/absence of their substrates, ligands or inhibitors. Numerous helper functions enable comparative analysis of experimental and theoretical data, and visualization of the principal changes in conformations that are…

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Topics & keywords

Topics
Keywords
  • Python (programming language)
  • Computer science
  • Visualization
  • Software
  • MIT License
  • R package
  • Theoretical computer science
  • Data mining
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