Understanding biomolecular motion, recognition, and allostery by use of conformational ensembles

作者：Robert Bryn Fenwick, Santi Esteban-Martín, Xavier Salvatella · 发表于：European Biophysics Journal · 年份：2011 · DOI：10.1007/s00249-011-0754-8 · 被引用次数：108 · 研究领域：RNA and protein synthesis mechanisms、Photosynthetic Processes and Mechanisms、Protein Structure and Dynamics

We review the role conformational ensembles can play in the analysis of biomolecular dynamics, molecular recognition, and allostery. We introduce currently available methods for generating ensembles of biomolecules and illustrate their application with relevant examples from the literature. We show how, for binding, conformational ensembles provide a way of distinguishing the competing models of induced fit and conformational selection. For allostery we review the classic models and show how conformational ensembles can play a role in unravelling the intricate pathways of communication that enable allostery to occur. Finally, we discuss the limitations of conformational ensembles and highlight some potential applications for the future.