Theoretical Studies of Membrane Proteins

理论分析和计算机模拟将用于 解决了许多与膜蛋白相关的问题。 目标是发展洞察力，计算能力， 方法和模型，将有助于设计和 膜蛋白实验的一般解释 尤其是视网膜蛋白。 霍尼格博士将专注于 三个一般领域：1）他将解决静电问题 用最近开发的方法获得静电能 大分子系统; 2）他将开发方法， 预测氨基酸侧链构象和螺旋-螺旋 膜蛋白的方向; 3）他将继续 努力了解视网膜的结构和功能， proteins. 在过去的几年里， 了解膜蛋白的结构。 一 已经报道了大量的氨基酸序列， 这些发现揭示了不同的 蛋白质家族 序列分析和一些结构 信息表明，许多跨膜蛋白共享 共同的结构要素。 特别是，似乎阿尔法 螺旋是膜蛋白中的主要结构基序。 一 一些实验室现在有能力修改 蛋白质基本上是随意的。 但问题是， 修改. 由于缺乏定义良好的可测试模型， 部分原因是， 膜蛋白的结构和功能。 这个项目， 希望能帮助我们克服这个问题

Theoretical analysis and computer simulations will be used to address a number of problems associated with membrane proteins. The goals will be to develop insights, computational methodologies and models which will facilitate the design and interpretation of experiments on membrane proteins in general and retinal proteins in particular. Dr. Honig will focus on three general areas: 1) he will address electrostatic questions with a recently developed method to obtain electrostatic energies of macromolecular systems; 2) he will develope methods to predict amino-acid side-chain conformations and helix-helix orientations in membrane proteins; and 3) he will continue efforts to understand the structure and function of retinal proteins. In the past few years there has been a large increase in the understanding of the structure of membrane proteins. A significant number of amino acid sequences have been reported and these have revealed remarkable homologies between different families of proteins. Sequence analysis and some structural information has suggested that many transmembrane proteins share common structural elements. In particular, it appears that alpha helices are a major structural motif in membrane proteins. A number of laboratories now have the capability of modifying proteins essentially at will. The problem though is what to modify. There is an absence of well-defined testable models, due in part to uncertainties as to the principles that govern the structure and function of membrane proteins. This project, hopefully, should help to overcome this.