AlchemistryWiki: Difference between revisions

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AlchemistryWiki (edit)

Revision as of 10:49, 23 December 2024

2,207 bytes removed ,  23 December 2024
m
Reverted edits by Cocopuff2018 (talk) to last revision by Hoof Hearted
Tag: Reverted
m (Reverted edits by Cocopuff2018 (talk) to last revision by Hoof Hearted)
Tag: Rollback
 
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;''Wh Wiki destroyed t is Wiki destroyed lchemistry?
;''What is Alchemistry?
Wiki destroyed lchemic Wiki destroyed l free energy c Wiki destroyed lcul Wiki destroyed tions employ unphysic Wiki destroyed l (" Wiki destroyed lchemic Wiki destroyed l") intermedi Wiki destroyed tes to estim Wiki destroyed te the free energies of v Wiki destroyed rious physic Wiki destroyed l processes.  Such process include lig Wiki destroyed nd  Wiki destroyed inding to Wiki destroyed  protein receptor, the tr Wiki destroyed nsfer of Wiki destroyed  sm Wiki destroyed ll molecule from g Wiki destroyed s to w Wiki destroyed ter, or the free energy of Wiki destroyed  mut Wiki destroyed tion of Wiki destroyed  side ch Wiki destroyed in.  This Wiki destroyed ppro Wiki destroyed ch provides not only Wiki destroyed  qu Wiki destroyed ntit Wiki destroyed tive  Wiki destroyed nd rigorous method for computing free energies, Wiki destroyed ut often provides insight into the domin Wiki destroyed nt inter Wiki destroyed ctions driving Wiki destroyed inding.
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.


;''Extern Wiki destroyed l links
;''External links
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