A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.

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Summary

The interaction of a probe group with a protein of known structure is computed at sample positions throughout and around the macromolecule, giving an array of energy values.

Type
article
Published
1985-07-01
Cited by
2,366
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0

Keywords

Chemistry, Macromolecule, Biological activity, Computational chemistry, Combinatorial chemistry

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