Graph-Theoretic Techniques for Macromolecular Docking
Journal of Chemical Information and Computer Sciences1999Vol. 40(2), pp. 273–279
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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.
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