摘要
至今，有关蛋白质侧链的同源模建，除了在本体模板上安装侧链和少数限制条件下在同源模板上安装侧链的报道外，系统的研究和实施似乎还未见报道。本软件系统ＰＭＯＤＥＬＩＮＧ采用同源移植和“死端排除“相结合的侧链安装策略，对与模板蛋白相应践基具有相似大小和形状的目标残基采用直接移植的方法。其余铡链则用广义“死端排除定则”安装。经众多蛋白的测试，达到了较好的模建品质。
So far, the systematic research and projection on protein sidechain placment in homologous modeling, except for some reports of placing sidechain on self-backbone and a few repors of placing sidechain on homologous backbone, has not beenn detailed. In our software, PMODELING, the combined method of homologous placement and DEE (dead and elmination) theorem has been used to configure the position of sidechain atoms. The sidechain of target residues which are similar in size and shape to the residues on homologous proteins are modeled by simple transferring the homologous residues. The rest of the sidechains is modeled by the genetalized DEE theorem. It is demonshatal to be a fairly good modeling scheme by the tests of numerous proteins sidechain modeling.
出处
《生物物理学报》
CAS
CSCD
北大核心
1996年第1期125-134,共10页
Acta Biophysica Sinica
基金
国家生物高科技项目
中科院上海生命科学研究中心和上海生命科学联合开放实验室资助
关键词
蛋白
同源模建
侧链安装
Protein homologous modeling
Sidechain placement
Dead end elimination
Homologous position
