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Design and characterization of non-Phosphopeptide inhibitors for Src family SH2 domains

✍ Scribed by See-Hyoung Park; Jonghwa Won; Keun-Hyeung Lee


Book ID
108477288
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
117 KB
Volume
12
Category
Article
ISSN
0960-894X

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Quantum mechanical binding free energy c
✍ Victor M. Anisimov; Claudio N. Cavasotto πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 285 KB

## Abstract The accurate and efficient calculation of binding free energies is essential in computational biophysics. We present a linear‐scaling quantum mechanical (QM)‐based end‐point method termed MM/QM‐COSMO to calculate binding free energies in biomolecular systems, with an improved descriptio