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Prospective discovery of LasB inhibitors by integrating generative design, free energy ranking, and experimental validation
Identifying synthetically accessible, potent ligands from vast chemical space remains a major challenge in drug discovery, particularly …
Alejandro Martínez León, Angeliki Vgenopoulou, Gwenaëlle Jézéquel, Andreas M. Kany, Anna K. H. Hirsch, Jochen S. Hub
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Prospective discovery of LasB inhibitors by integrating generative design, free energy ranking, and experimental validation
Small-angle solution scattering: from fundamental theory to practical approximations
Small-angle scattering (SAS) is widely used in structural biology, soft matter, and colloidal science to probe molecular structures in …
Kristian Lytje, Jan Skov Pedersen, Jochen S. Hub
PDF DOI arXiv
Small-angle solution scattering: from fundamental theory to practical approximations