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Disambiguation of "Santos-Martins, Diogo"

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

, , , , , and . Parallel Comput., (2022)

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Michael Martins dos Santos

Diogo Behrens

Diogo Sampaio

Rodrigue Vivien Cao Diogo

Rodrigue Vivien Cao Diogo

 

Other publications of authors with the same name

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4., , , , , , , , , and . J. Comput. Aided Mol. Des., 33 (12): 1011-1020 (2019)Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species., , , , , and . J. Chem. Inf. Model., 63 (17): 5631-5640 (September 2023)Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge., , , , and . J. Comput. Aided Mol. Des., 28 (4): 429-441 (2014)GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research., , , , , , , , , and 5 other author(s). BCB, page 43:1-43:10. ACM, (2020)D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU., , , , , , and . J. Comput. Aided Mol. Des., 33 (12): 1071-1081 (2019)Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015.. J. Comput. Aided Mol. Des., 30 (9): 731-742 (2016)Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19., , , , , , , , , and 41 other author(s). J. Chem. Inf. Model., 60 (12): 5832-5852 (2020)Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking., , , and . PDP, page 162-166. IEEE, (2020)Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results., , , , , and . J. Chem. Inf. Model., 63 (7): 1858-1864 (April 2023)AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins., , , and . Journal of Chemical Information and Modeling, 54 (8): 2371-2379 (2014)