当前位置: X-MOL 学术J. Math. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain
Journal of Mathematical Chemistry ( IF 1.7 ) Pub Date : 1991-01-01 , DOI: 10.1007/bf01166938
N Luo 1 , M Shibata , R Rein
Affiliation  

A systematic analysis is presented of the algorithm for convering a virtual-bond chain, defined by the coordinates of theα-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm [1] but with a different “linkage map” of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example. the Ramachandran criterion [2, 3], within the framework of this approach.

中文翻译:

一种将虚拟键链转化为完整多肽主链的算法

系统分析了将虚拟键链(由给定蛋白质的α-碳的坐标定义)转换为完整多肽骨架的算法。提出了一种替代算法,该算法基于在 Purisima-Scheraga 算法 [1] 中使用的相同几何参数集,但具有不同的算法程序“链接图”。例如,全局虚拟键链几何约束更容易从局部肽几何和能量约束中分离出来。在这种方法的框架内,Ramachandran 标准 [2, 3]。
更新日期:1991-01-01
down
wechat
bug