المؤلفون: Zachary Smith, Michael Strobel, Bodhi P. Vani, Pratyush Tiwary

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Physiology, Pharmacology, Computational Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, site prediction workflow, nearly every step, minimize wasted computation, important early step, free energy perturbation, data set preparation, aided drug discovery, recovering binding sites, binding sites, priori <, pdb structures, model evaluation, high degree, evaluate assumptions, downstream tasks, difficult task, campaigns rely, attention identifying, art performance, achieve state

Relation: https://figshare.com/articles/journal_contribution/Graph_Attention_Site_Prediction_GrASP_Identifying_Druggable_Binding_Sites_Using_Graph_Neural_Networks_with_Attention/25367097

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01698.s001