Evol and ProDy for bridging protein sequence evolution and structural dynamics

Bioinformatics. 2014 Sep 15;30(18):2681-3. doi: 10.1093/bioinformatics/btu336. Epub 2014 May 21.

Abstract

Correlations between sequence evolution and structural dynamics are of utmost importance in understanding the molecular mechanisms of function and their evolution. We have integrated Evol, a new package for fast and efficient comparative analysis of evolutionary patterns and conformational dynamics, into ProDy, a computational toolbox designed for inferring protein dynamics from experimental and theoretical data. Using information-theoretic approaches, Evol coanalyzes conservation and coevolution profiles extracted from multiple sequence alignments of protein families with their inferred dynamics.

Availability and implementation: ProDy and Evol are open-source and freely available under MIT License from http://prody.csb.pitt.edu/.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computational Biology / methods*
  • Evolution, Molecular*
  • Humans
  • Models, Molecular
  • Protein Conformation
  • Proteins / chemistry*
  • Proteins / metabolism*
  • Sequence Alignment
  • Software

Substances

  • Proteins