Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge.
| Autor: | Bahr, Matthew N.1 (AUTHOR) matthew.n.bahr@gsk.com, Nandkeolyar, Aakankschit1,2,3 (AUTHOR), Kenna, John K.1 (AUTHOR), Nevins, Neysa1 (AUTHOR), Da Vià, Luigi4 (AUTHOR), Işık, Mehtap5 (AUTHOR), Chodera, John D.5 (AUTHOR), Mobley, David L.3 (AUTHOR) |
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| Zdroj: | Journal of Computer-Aided Molecular Design. Nov2021, Vol. 35 Issue 11, p1141-1155. 15p. |
| Databáze: | Academic Search Ultimate |
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