LDDM (Large Drug Discovery Model) is introduced, a generative framework that supports a range of drug discovery tasks, including constrained and unconstrained docking, fragment linking and growing, and de novo design, and a programmable design algorithm that enables accurate design of synthetically accessible compounds...
Ilia Igashov, Arne Schneuing, Adrian W. Dobbelstein et al.· bioRxiv· 0 citations
The routine use of cryo-EM to resolve CYP3A4 ligand-bound complexes will provide the ground truth data needed to make predictive models of drug metabolism useful in practice.
Anna K. Orta, Jan-Hannes Schäfer, G. Correy et al.· bioRxiv· 0 citations
This work structurally characterize chimeric ribosomes derived from Escherichia coli, Pseudomonas aeruginosa, and Vibrio cholerae using cryo-electron microscopy and uncover a potential relationship between 16S ribosomal RNA (rRNA) stability and translation efficiency, providing new insights into rRNA structural malleab...
Tushar Raskar, Alan Costello, A. Badran et al.· Nucleic Acids Research· 0 citations
