title: Graph-theoretic techniques for macromolecular docking
abstract: 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 acceptors 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.
authors.affiliation: Department of Information Studies, Sheffield University, Western Bank, United Kingdom. e.gardiner@sheffield.ac.uk
authors.initials: EJ
authors.lastname: Gardiner
authors.initials: P
authors.lastname: Willett
authors.initials: PJ
authors.lastname: Artymiuk