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A high-throughput screen to identify novel calcineurin inhibitors

✍ Scribed by Lekha Menon Margassery; Jonathan Kennedy; Fergal O'Gara; Alan D. Dobson; John P. Morrissey

Book ID
116751214
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
425 KB
Volume
88
Category
Article
ISSN
0167-7012

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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