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An investigation of phosphopeptide binding to SH2 domain

✍ Scribed by Jin Kak Lee; Taesung Moon; Myung Whan Chi; Jin-Soo Song; Young-Sang Choi; Chang No Yoon

Book ID
117054028
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
208 KB
Volume
306
Category
Article
ISSN
0006-291X

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πŸ“œ SIMILAR VOLUMES

Quantum mechanical binding free energy c
Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain
✍ 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