用于衔接蛋白质序列进化与结构动力学的Evol和ProDy
Evol and ProDy for bridging protein sequence evolution and structural dynamics.
作者信息
Bakan Ahmet, Dutta Anindita, Mao Wenzhi, Liu Ying, Chennubhotla Chakra, Lezon Timothy R, Bahar Ivet
机构信息
Department of Computational and Systems Biology, and Clinical & Translational Science Institute, School of Medicine, University of Pittsburgh, Pittsburgh, PA 15213, USA.
出版信息
Bioinformatics. 2014 Sep 15;30(18):2681-3. doi: 10.1093/bioinformatics/btu336. Epub 2014 May 21.
Abstract
UNLABELLED
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/.
摘要
未标注
序列进化与结构动力学之间的相关性对于理解功能的分子机制及其进化至关重要。我们已将Evol（一个用于快速高效比较进化模式和构象动力学的新软件包）集成到ProDy（一个用于从实验和理论数据推断蛋白质动力学的计算工具箱）中。利用信息论方法，Evol共同分析从蛋白质家族的多序列比对中提取的保守性和共进化概况及其推断的动力学。
可用性和实现方式
ProDy和Evol是开源的，根据麻省理工学院许可可从http://prody.csb.pitt.edu/免费获取。
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