Evol and ProDy for bridging protein sequence evolution and structural dynamics

A Bakan, A Dutta, W Mao, Y Liu, C Chennubhotla… - …, 2014 - academic.oup.com
Bioinformatics, 2014academic.oup.com
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 pro tein dyn amics from experimental and theoretical data. Using information-
theoretic approaches, Evol coanalyzes conservation and coevolution profiles extracted from …
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 pro tein dyn amics 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 fromhttp://prody.csb.pitt.edu/.
Contact:  bahar@pitt.edu
Oxford University Press