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;''What is Alchemistry?
;''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.
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.
 
;''External links
{{WikiApiary}}
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Latest revision as of 18:38, 20 July 2023

http://alchemistry.org/wiki/images/staurosporine-hydrated-1.png
AlchemistryWiki
Recent changes • [No WikiNode] • [No About] • [No Mobile URL]
Founded by: John Chodera
Status: Active
Language: English
Edit mode: ByInvitation
Wiki engine: MediaWiki
Wiki license: No license
Main topic: Chemistry
Backups: 2014-04-17
Wiki size: 57 article pages see stats

(As of: 2023-04-11)


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.

External links