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Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening

✍ Scribed by Fukunishi, Yoshifumi; Kubota, Satoru; Nakamura, Haruki


Book ID
118032311
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
271 KB
Volume
46
Category
Article
ISSN
0095-2338

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Noise Reduction Method for Molecular Int
✍ Yoshifumi Fukunishi; Satoru Kubota; Haruki Nakamura πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons βš– 8 KB

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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