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DIOGO SANTOS-MARTINS
Author Info
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Name
Affiliation
Papers
DIOGO SANTOS-MARTINS
Embedded Systems and Applications Group, Technische Universität Darmstadt, Darmstadt, Germany
8
Collaborators
Citations
PageRank
29
9
2.89
Referers
Referees
References
53
136
34
Search Limit
100
136
Publications (8 rows)
Collaborators (29 rows)
Referers (53 rows)
Referees (100 rows)
Title
Citations
PageRank
Year
Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking
0
0.34
2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
1
0.35
2020
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
0
0.34
2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
0
0.34
2019
Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015.
1
0.35
2016
Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas.
0
0.34
2016
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
7
0.50
2014
AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins.
0
0.34
2014
1