Sanejouand Yves-Henri
University of Nantes, Nantes, France.
Methods Mol Biol. 2013;924:601-16. doi: 10.1007/978-1-62703-017-5_23.
Fifteen years ago, Monique Tirion showed that the low-frequency normal modes of a protein are not significantly altered when nonbonded interactions are replaced by Hookean springs, for all atom pairs whose distance is smaller than a given cutoff value. Since then, it has been shown that coarse-grained versions of Tirion's model are able to provide fair insights on many dynamical properties of biological macromolecules. In this chapter, theoretical tools required for studying these so-called Elastic Network Models are described, focusing on practical issues and, in particular, on possible artifacts. Then, an overview of some typical results that have been obtained by studying such models is given.
十五年前,莫妮克·蒂里翁表明,对于所有距离小于给定截止值的原子对,当非键相互作用被胡克弹簧取代时,蛋白质的低频正常模式不会有显著改变。从那时起,研究表明蒂里翁模型的粗粒度版本能够为生物大分子的许多动力学性质提供合理的见解。在本章中,将描述研究这些所谓弹性网络模型所需的理论工具,重点关注实际问题,特别是可能出现的假象。然后,将对通过研究此类模型所获得的一些典型结果进行概述。