Yucca: An Efficient Algorithm for Small-Molecule Docking
| Autor: | Vicky Choi |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Quantitative Biology::Biomolecules
Binding Sites Molecular Structure biology Efficient algorithm Chemistry Yucca Proteins Bioengineering General Chemistry General Medicine Bioinformatics biology.organism_classification Models Biological Biochemistry Small molecule Docking (molecular) Proteins metabolism Algorithmic efficiency Molecular Medicine Molecular Biology Algorithm Algorithms Protein Binding |
| Zdroj: | Chemistry & Biodiversity. 2:1517-1524 |
| ISSN: | 1612-1880 1612-1872 |
| DOI: | 10.1002/cbdv.200590123 |
| Popis: | In this paper, we present a new algorithm, which is based on an efficient heuristic for local search, for rigid protein-small-molecule docking. We tested our algorithm, called Yucca, on the recent 100-complex benchmark, using the conformer generator OMEGA to generate a set of low-energy conformers. The results showed that Yucca is competitive both in terms of algorithm efficiency and docking accuracy. |
| Databáze: | OpenAIRE |
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