المؤلفون: Elleansar Okwei (14375331), Shannon T. Smith (9510110), Brian J. Bender (10291038), Brittany Allison (14375334), Soumya Ganguly (5353730), Alexander Geanes (14375337), Xuan Zhang (56049), Kaitlyn Ledwitch (14375340), Jens Meiler (112401)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Immunology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, uniprotkb q9x0c6 ), receiver operating characteristics, also provides feedback, docking poses observed, computational docking methods, affinity ligand binding, binding pocket identified, binding pocket, computational results, docking pose, incorrect binding, binding affinities, weakly bind, usually less, taken together, specific interactions, small molecules, slight deviations, rosetta ’, results provide, reliable test, molecular weight

Relation: https://figshare.com/articles/journal_contribution/Rosetta_s_Predictive_Ability_for_Low-Affinity_Ligand_Binding_in_Fragment-Based_Drug_Discovery/21861432

الاتاحة: https://doi.org/10.1021/acs.biochem.2c00649.s001