Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking.
Leonardo Solis-VasquezAndreas F. TillackDiogo Santos-MartinsAndreas KochScott LeGrandStefano ForliPublished in: Parallel Comput. (2022)
Keyphrases
- parallel computation
- hiv protease
- real time
- irregularly shaped
- three dimensional
- drug discovery
- gpu implementation
- parallel computing
- graphics hardware
- molecular dynamics
- parallel programming
- dna computing
- arbitrarily shaped
- parallel implementation
- parallel processing
- information retrieval
- neural network
- parallel algorithm
- multiresolution
- gpu accelerated
- molecular structure
- image pyramids