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| http://alchemistry.org/wiki/images/staurosporine-hydrated9.png | AlchemistryWiki Recent changes [No WikiNode] [No About] [No Mobile URL] |
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| Founded by: | unknown |
| Status: | Active |
| Language: | English |
| Edit mode: | ByInvitation |
| Wiki engine: | MediaWiki |
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| Main topic: | Chemistry |
| Wiki size: | 57 article pages see stats |
- What is Alchemistry?
Alchemical free energy calculations employ unphysical ("alchemical") intermediates to estimate the free energies of various physical processes. Such process include ligand binding to a protein receptor, the transfer of a small molecule from gas to water, or the free energy of a mutation of a side chain. This approach provides not only a quantitative and rigorous method for computing free energies, but often provides insight into the dominant interactions driving binding.