Frappier Vincent, Chartier Matthieu, Najmanovich Rafael J
Department of Biochemistry, Faculty of Medicine and Health Sciences, University of Sherbrooke, Sherbrooke, Quebec, J1H 5N4, Canada.
Department of Biochemistry, Faculty of Medicine and Health Sciences, University of Sherbrooke, Sherbrooke, Quebec, J1H 5N4, Canada
Nucleic Acids Res. 2015 Jul 1;43(W1):W395-400. doi: 10.1093/nar/gkv343. Epub 2015 Apr 16.
ENCoM is a coarse-grained normal mode analysis method recently introduced that unlike previous such methods is unique in that it accounts for the nature of amino acids. The inclusion of this layer of information was shown to improve conformational space sampling and apply for the first time a coarse-grained normal mode analysis method to predict the effect of single point mutations on protein dynamics and thermostability resulting from vibrational entropy changes. Here we present a web server that allows non-technical users to have access to ENCoM calculations to predict the effect of mutations on thermostability and dynamics as well as to generate geometrically realistic conformational ensembles. The server is accessible at: http://bcb.med.usherbrooke.ca/encom.
ENCoM是最近推出的一种粗粒度正常模式分析方法，与以前的此类方法不同，它的独特之处在于考虑了氨基酸的性质。结果表明，纳入这一层信息可改善构象空间采样，并首次应用粗粒度正常模式分析方法来预测单点突变对因振动熵变化而导致的蛋白质动力学和热稳定性的影响。在此，我们展示了一个网络服务器，该服务器允许非专业用户进行ENCoM计算，以预测突变对热稳定性和动力学的影响，以及生成几何上逼真的构象集合。该服务器可通过以下网址访问：http://bcb.med.usherbrooke.ca/encom 。
