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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 by Hylsová, M, Carbain, B, Fanfrlík, J, Musilová, L, Haldar, S, Köprülüoğlu, C, Ajani, H, Brahmkshatriya, P, Jorda, R, Kryštof, V, Hobza, P, Echalier-Glazer, A, Paruch, K, Lepšík, M
Published 2016Journal article