This paper presents two methods for the automated generation of 3D molecular graphs. The objective is to obtain molecular graphs that span the binding site and incorporate predicted ligand points at their vertices. The steric surface at the site forms the mould into which a developing ligand has to
Automated site-directed drug design using molecular lattices
โ Scribed by RichardA. Lewis; DianaC. Roe; IrwinD. Kuntz
- Book ID
- 103637940
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 775 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0263-7855
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๐ SIMILAR VOLUMES
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