Screening a fragment cocktail library using ultrafiltration
نویسندگان
چکیده
منابع مشابه
Library screening by fragment-based docking.
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 discovered in each of the high-throughput docking campaigns. Probable reasons for the lack of submicromolar inhibitors a...
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ژورنال
عنوان ژورنال: Analytical and Bioanalytical Chemistry
سال: 2011
ISSN: 1618-2642,1618-2650
DOI: 10.1007/s00216-011-5225-7