Graph-theoretic techniques for macromolecular docking

被引：45

作者：

Gardiner, EJ

Willett, P

Artymiuk, PJ

机构：

[1] Univ Sheffield, Dept Informat Studies, Sheffield S10 2TN, S Yorkshire, England

[2] Univ Sheffield, Krebs Inst, Dept Mol Biol & Biotechnol, Sheffield S10 2TN, S Yorkshire, England

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2000年 / 40卷 / 02期

关键词：

D O I：

10.1021/ci990262o

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We propose a solution to the problem of docking two macromolecules. We represent each of two proteins as a set of potential hydrogen bond donors and accepters and use a clique-detection algorithm to find maximally complementary sets of donor/acceptor pairs. Preliminary results are presented which demonstrate the feasibility of the method.

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页码：273 / 279

页数：7

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