Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking

Leonardo Solis-Vasquez, Andreas F. Tillack, Diogo Santos-Martins, Andreas Koch 0001, Scott Legrand, Stefano Forli. Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking. Parallel Computing, 109:102861, 2022. [doi]

Abstract

Abstract is missing.