Lea et al., “Cryo-EM diversifies”; Current Opinion in Structural Biology 2022
Lea et al., “Cryo-EM diversifies”; Current Opinion in Structural Biology 2022
Lea et al., “Cryo-EM diversifies”; Current Opinion in Structural Biology 2022
St. Denis et al., “X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor”; J. Med. Chem. 2022
Tamanini et al., “Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor”; ACS Med. Chem. Lett. 2022
da Silva Júnior et al., “Growth vector elaboration of fragments: regioselective functionalization of 5-hydroxy-6-azaindazole and 3-hydroxy-2,6-naphthyridine”; Org. Biomol. Chem. 2022
Priyanka et al., “Mitoxantrone stacking does not define the active or inactive state of USP15 catalytic domain”; J. Struct. Biol. 2022
Izsák et al., “Quantum computing in pharma: A multilayer embedding approach for near future applications”; J. Comput. Chem. 2022
Martins et al., “A validated liquid chromatography-tandem mass spectroscopy method for the quantification of tolinapant in human plasma”; Anal. Sci. Adv. 2022
Kakade et al., “Mapping of a N-terminal α-helix domain required for human PINK1 stabilization, Serine228 autophosphorylation and activation in cells”; Open Biol .2022
Pomberger et al., “The effect of chemical representation on active machine learning towards closed-loop optimization”; React. Chem. Eng. 2022
Poelking et al., “BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale”; Mach. Learn.: Sci. Technol. 2022