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
- References
- 0
- OpenAlex
- https://openalex.org/W2080653934
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:8901332
Keywords
Chemistry, Macromolecule, Biological activity, Computational chemistry, Combinatorial chemistry
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