固有无序蛋白质（IDPs）的预测和分子动力学模拟研究

摘要

Intrinsically disordered proteins are a class of proteins without constant three-dimensional structures under physiological condition,but they can play normal biological functions.The systematic studies of these proteins enrich people's understandings of the biological function of the protein.Intrinsical-ly disordered proteins prediction after ten years of development,has become an important tool for the dis-covery of new disordered proteins;while molecular dynamics simulations play an irreplaceable role in dis-cussion conformational change processes of instrinsically disordered proteins on a mico level,analysis of in-teraction of intrinsically disordered proteins and other molecules,and reveal features of these proteins.%固有无序蛋白质是一类在生理状态下没有固定三维结构，却可以发挥正常生物学功能的蛋白质。对这类蛋白质系统深入的研究丰富了人们对蛋白质生物学功能的认识。固有无序蛋白质预测经过十多年发展，已经成为发现新固有无序蛋白质的重要工具；而分子动力学模拟则为我们从微观上研究固有无序蛋白构象变化过程、分析固有无序蛋白与其他分子的相互作用，以及揭示这类蛋白质的特征等发挥了不可替代的作用。