Graph-theoretic techniques for macromolecular docking
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.
Gardiner
EJ
Department of Information Studies, Sheffield University, Western Bank, United Kingdom. e.gardiner@sheffield.ac.uk
Willett
P
Artymiuk
PJ