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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]

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