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Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
scientific article published on 11 December 2016
Author/s
author: Jindrich Fanfrlík, Cemal Köprülüoğlu, Haresh Ajani, Haresh Ajani, Vladimír Kryštof, Martin Lepšík, Aude Echalier, Pavel Hobza, Radek Jorda
Work details
Publication date
December 11, 2016
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Language
English
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