𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Integration of fragment screening and library design

✍ Scribed by Gregg Siegal; Eiso AB; Jan Schultz

Book ID
113568786
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
421 KB
Volume
12
Category
Article
ISSN
1359-6446

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Library screening by fragment-based dock
Library screening by fragment-based docking
✍ Danzhi Huang; Amedeo Caflisch πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 541 KB

## Abstract We review our computational tools for high‐throughput screening by fragment‐based docking of large collections of small molecules. Applications to six different enzymes, four proteases, and two protein kinases, are presented. Remarkably, several __low‐micromolar__ inhibitors were discov