𝔖 Bobbio Scriptorium
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Free energy of a crystal in the quantum domain with allowance for correlations

✍ Scribed by P. N. Nikolaev

Book ID
112426037
Publisher
Springer
Year
1980
Tongue
English
Weight
281 KB
Volume
23
Category
Article
ISSN
1573-9228

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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