Title: Automated docking of substrates to proteins by simulated annealing

Authors: David S. Goodsell, Arthur J. Olson

Journal: Proteins: Structure, Function, and Bioinformatics

Year: 1990

DOI: 10.1002/prot.340080302

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.

Takeaways

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Main

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Bibtex

@article{goodsell1990automated,
  title={Automated docking of substrates to proteins by simulated annealing},
  author={Goodsell, David S and Olson, Arthur J},
  journal={Proteins: Structure, Function, and Bioinformatics},
  volume={8},
  number={3},
  pages={195--202},
  year={1990},
  publisher={Wiley Online Library}
}