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An improved method of potential of mean force for protein-protein interactions
  • ISSN号：1001-6538
  • 期刊名称：科学通报(英文版)
  • 时间：0
  • 页码：1145-1151
  • 语言：中文
  • 分类：Q1[生物学—普通生物学]
  • 作者机构：[1]National Laboratory of Solid State Microstructure and Department of Physics, Nanjing University, Nanjing 210093, China
  • 相关基金：Supported by the National Natural Science Foundation of China （Grant Nos. 90403120, 10474041 and 10504012
  • 相关项目：细胞环境中蛋白质结构形成过程的模拟研究
作者： Wang Jun|Su Yu|Li WenFei|Zhang Jian|Wang Wei|
关键词： 基础知识, PMF, 双蛋白, 交互作用, knowledge-based method, potential of mean force （PMF）, protein-protein interactions
中文摘要：

在这个工作，吝啬的力量(PMF ) 的潜力的传统的方法为描述蛋白质蛋白质相互作用被改进。这个方法在原子水平被开发并且是距离依赖者。与传统的方法相比，我们的模型能相当考虑环境因素的效果。与这修正，我们能获得更合理、精确的对潜力，它是为精确描述蛋白质蛋白质相互作用的首要事物并且能帮助我们在蛋白质系统认出残余的相互作用规则。我们的方法能也被用于蛋白质科学的另外的地，例如，蛋白质褶层识别，结构预言和 thermostability 的预言。

英文摘要：

In this work, the traditional method of potential of mean force （PMF） is improved for describing the protein-protein interactions. This method is developed at atomic level and is distance-dependent. Compared with the traditional method, our model can reasonably consider the effects of the environmental factors. With this modification, we can obtain more reasonable and accurate pair potentials, which are the pre-requisite for precisely describing the protein-protein interactions and can help us to recognize the interaction rules of residues in protein systems. Our method can also be applied to other fields of protein science, e.g., protein fold recognition, structure prediction and prediction of thermostability.

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