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Parallel Computing
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December 13, 2021
Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking
Leonardo Solis-Vasquez, Andreas F Tillack, Diogo Santos-Martins, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas F Tillack, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4
Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, et al.
Arxiv
|
July 18, 2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
Scott LeGrand, Aaron Scheinberg, Andreas F Tillack, et al.
Plos One
|
December 6, 2018
Automatic classification of pediatric pneumonia based on lung ultrasound pattern recognition
Malena Correa, Mirko Zimic, Franklin Barrientos, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Parallel Computing
|
December 13, 2021
Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking
Leonardo Solis-Vasquez, Andreas F Tillack, Diogo Santos-Martins, et al.
Journal of Chemical Theory and Computation
|
January 6, 2021
Accelerating AutoDock4 with GPUs and Gradient-Based Local Search
Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas F Tillack, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Diogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4
Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, et al.
Arxiv
|
July 18, 2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
Scott LeGrand, Aaron Scheinberg, Andreas F Tillack, et al.
Plos One
|
December 6, 2018
Automatic classification of pediatric pneumonia based on lung ultrasound pattern recognition
Malena Correa, Mirko Zimic, Franklin Barrientos, et al.
Page
of 1