计算蛋白质设计的进展。

Advances in computational protein design.

作者信息

Park Sheldon, Yang Xi, Saven Jeffery G

机构信息

Makineni Theoretical Laboratories and Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104, USA.

出版信息

Curr Opin Struct Biol. 2004 Aug;14(4):487-94. doi: 10.1016/j.sbi.2004.06.002.

DOI:10.1016/j.sbi.2004.06.002

PMID:15313244

Abstract

Computational protein design continues to experience a variety of methodological advances. Several improvements have been suggested for the objective functions used to quantify sequence/structure compatibility. Disparate design strategies based upon dead-end elimination, simulated annealing and statistical design have each recently yielded striking successes involving de novo designed proteins with sizes on the order of 100 residues or greater. Such methods may be used to design new proteins, as well as to redesign natural proteins to facilitate structural and biophysical studies.

摘要

计算蛋白质设计不断取得各种方法上的进展。针对用于量化序列/结构兼容性的目标函数，人们提出了一些改进方法。基于死端消除、模拟退火和统计设计的不同设计策略最近都取得了显著成功，涉及到从头设计大小在100个残基或更大规模的蛋白质。这些方法可用于设计新蛋白质，也可用于重新设计天然蛋白质，以促进结构和生物物理研究。