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To Keep or Not to Keep? The Question of Crystallographic Waters for Enzyme Simulations in Organic Solvent

The use of enzymes in non-aqueous solvents expands the use of biocatalysts to hydrophobic substrates, with the ability to tune selectivity of reactions through solvent selection. Non-aqueous enzymology also allows for fundamental studies on the role of water and other solvents in enzyme structure, d...

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Publicat a:Mol Simul
Autors principals: Dahanayake, Jayangika N., Gautam, Devaki N., Verma, Rajni, Mitchell-Koch, Katie R.
Format: Artigo
Idioma:Inglês
Publicat: 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4937824/
https://ncbi.nlm.nih.gov/pubmed/27403032
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/08927022.2016.1139108
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