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Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design.
J Chem Inf Model. 2023 Feb 27;63(4):1239-1248. doi: 10.1021/acs.jcim.2c01212. Epub 2023 Feb 10.
J Chem Inf Model. 2023.
PMID: 36763797
Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem".
Gerasimov IS, Losev TV, Epifanov EY, Rudenko I, Bushmarinov IS, Ryabov AA, Zhilyaev PA, Medvedev MG.
Gerasimov IS, et al. Among authors: losev tv.
Science. 2022 Aug 5;377(6606):eabq3385. doi: 10.1126/science.abq3385. Epub 2022 Aug 5.
Science. 2022.
PMID: 35926034
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