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Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules

The crystal interaction density is generally assumed to be a suitable measure of the polarization of a low‐molecular weight ligand inside an enzyme, but this approximation has seldomly been tested and has never been quantified before. In this study, we compare the crystal interaction density and the...

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Detalles Bibliográficos
Autores principales:	Kleemiss, Florian, Wieduwilt, Erna K., Hupf, Emanuel, Shi, Ming W., Stewart, Scott G., Jayatilaka, Dylan, Turner, Michael J., Sugimoto, Kunihisa, Nishibori, Eiji, Schirmeister, Tanja, Schmidt, Thomas C., Engels, Bernd, Grabowsky, Simon
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2021
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7898524/ https://www.ncbi.nlm.nih.gov/pubmed/33090581 http://dx.doi.org/10.1002/chem.202003978

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