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METAPRINT: A Metabolic Fingerprint. Application to Cassette Design for High-Throughput ADME Screening

✍ Scribed by Keseruu, G.M.; Molnar, L.


Book ID
127124901
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
128 KB
Volume
42
Category
Article
ISSN
0095-2338

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Application of a novel in silico high-th
✍ Catherine Joce; Joshua A. Stahl; Mitesh Shridhar; Mark R. Hutchinson; Linda R. W πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 447 KB

Increasing numbers of target protein structures available for computational studies makes the structure-based screening paradigm more attractive for initial hit indentification. We have developed a novel in silico screening methodology incorporating Molecular Mechanics (MM)/implicit solvent methods