Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening.
Austin ClydeThomas S. BrettinAlexander PartinHyun Seung YooYadu N. BabujiBen BlaiszikAndré MerzkyMatteo TurilliShantenu JhaArvind RamanathanRick StevensPublished in: CoRR (2021)