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Genetic Algorithm-Enhanced Direct Method in Protein Crystallography
Published 2025-01-01Subjects: Get full text
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Severe deviation in protein fold prediction by advanced AI: a case study
Published 2025-02-01Get full text
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Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease
Published 2025-01-01“…Here, we characterize a series of 3C inhibitors against EV68-3C protease through enzyme inhibition, protein crystallography, and structural analysis. We have determined and analyzed three high-resolution inhibitor-bound crystal structures of EV68-3C protease, which revealed possible sites of resistance mutations, a key structural water molecule conserved during ligand binding, and the conformational flexibility of the catalytic histidine H40. …”
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