It is shown that the computer program LUDI can be used to search large databases of three-dimensional structures for putative ligands of proteins with known 3D structure. As an example, a subset of =30 000 small molecules (with less than 40 atoms and 0-2 rotatable bonds) from the Fine Chemicals Dire
✦ LIBER ✦
The Automatic Search for Ligand Binding Sites in Proteins of Known Three-dimensional Structure Using only Geometric Criteria
✍ Scribed by Klaus P. Peters; Jana Fauck; Cornelius Frömmel
- Book ID
- 115627234
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 738 KB
- Volume
- 256
- Category
- Article
- ISSN
- 0022-2836
No coin nor oath required. For personal study only.
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