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In Silico Prediction of SARS Protease Inhibitors by Virtual High Throughput Screening

โœ Scribed by Dariusz Plewczynski; Marcin Hoffmann; Marcin Von Grotthuss; Krzysztof Ginalski; Leszek Rychewski


Book ID
111368385
Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
652 KB
Volume
69
Category
Article
ISSN
1747-0277

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Application of a novel in silico high-th
โœ Catherine Joce; Joshua A. Stahl; Mitesh Shridhar; Mark R. Hutchinson; Linda R. W ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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