计算蛋白质设计

Computational protein design.

作者信息

Street A G, Mayo S L

机构信息

Division of Physics, Mathematics and Astronomy, California Institute of Technology, Pasadena 91125, USA.

出版信息

Structure. 1999 May;7(5):R105-9. doi: 10.1016/s0969-2126(99)80062-8.

DOI:10.1016/s0969-2126(99)80062-8

PMID:10378265

Abstract

A 'protein design cycle', involving cycling between theory and experiment, has led to recent advances in rational protein design. A reductionist approach, in which protein positions are classified by their local environments, has aided development of an appropriate energy expression. The computational principles and practicalities of the protein design cycle are discussed.

摘要

一个涉及理论与实验循环的“蛋白质设计循环”，已促成了合理蛋白质设计方面的最新进展。一种还原论方法，即将蛋白质位置按其局部环境进行分类，有助于开发合适的能量表达式。本文讨论了蛋白质设计循环的计算原理与实际应用。