Automated docking of substrates to proteins by simulated annealing
Proteins Structure Function and Bioinformatics1990Vol. 8(3), pp. 195–202
Citations Over TimeTop 10% of 1990 papers
Abstract
The Metropolis technique of conformation searching is combined with rapid energy evaluation using molecular affinity potentials to give an efficient procedure for docking substrates to macromolecules of known structure. The procedure works well on a number of crystallographic test systems, functionally reproducing the observed binding modes of several substrates.
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