| Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 156 | 2020 |
| GPU-accelerated drug discovery with docking on the summit supercomputer: Porting, optimization, and application to COVID-19 research S LeGrand, A Scheinberg, AF Tillack, M Thavappiragasam, JV Vermaas, ... Proceedings of the 11th ACM international conference on bioinformatics …, 2020 | 72 | 2020 |
| High-throughput virtual laboratory for drug discovery using massive datasets J Glaser, JV Vermaas, DM Rogers, J Larkin, S LeGrand, S Boehm, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 41 | 2021 |
| Addressing load imbalance in bioinformatics and biomedical applications: Efficient scheduling across multiple gpus M Thavappiragasam, V Kale, O Hernandez, A Sedova 2021 IEEE international conference on bioinformatics and biomedicine (BIBM …, 2021 | 7 | 2021 |
| Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms M Thavappiragasam, A Scheinberg, W Elwasif, O Hernandez, A Sedova 2020 IEEE/ACM International Workshop on Performance, Portability and …, 2020 | 6 | 2020 |
| Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms? M Thavappiragasam, W Elwasif, A Sedova 2022 22nd IEEE International Symposium on Cluster, Cloud and Internet …, 2022 | 4 | 2022 |
| Graphics processing unit computations for finite element optimization: A review and some issues to be addressed S Sivamayam, K Victor U, M Thavappiragasam, R Mohammad R, ... Revue Roumaine Des Sci. Techn.-Serie ElectrotechniQque Et Energetique 60 (3 …, 2015 | 4 | 2015 |
| Automatic biosystems comparison using semantic and name similarity M Thavappiragasam, CM Lushbough, EZ Gnimpieba Proceedings of the 5th ACM Conference on Bioinformatics, Computational …, 2014 | 4 | 2014 |
| Parallel Algorithms for Successive Convolution AJ Christlieb, PT Guthrey, WA Sands, M Thavappiragasm Journal of Scientific Computing 86 (1), 2020 | 3 | 2020 |
| A fast local embedded boundary method suitable for high power electromagnetic sources M Thavappiragasam, A Christlieb, J Luginsland, P Guthrey AIP Advances 10 (11), 115318, 2020 | 3 | 2020 |
| MOLT based fast high-order three dimensional A-stable scheme for wave propagation M Thavappiragasam, A Viswanathan, A Christlieb Journal of Coupled Systems and Multiscale Dynamics 5 (3), 151-163, 2017 | 3 | 2017 |
| SBMLDock: Docker Driven Systems Biology Tool Development and Usage EZ Gnimpieba, M Thavappiragasam, A Chango, B Conn, CM Lushbough International Conference on Computational Methods in Systems Biology 9308 …, 2015 | 3 | 2015 |
| Coil positioning for defect reconstruction in a steel plate K Victor U, M Thavappiragsam, J Paramsothy, T Ravi S, H SRH 2015 31st International Review of Progress in Applied Computational …, 2015 | 3* | 2015 |
| The Depth Limits of Eddy Current Testing for Defects: A Computational Investigation and Smooth-Shaped Defect Synthesis from Finite Element Optimization M Thavappiragasam, VU Karthik, P Jayakumar, R Thyagarajan, ... SAE International Journal of Materials and Manufacturing 8 (2), 450-457, 2015 | 2 | 2015 |
| Expert System and Semantic Web Knowledge Base for Low Frequency Electromagnetic Devices M Thavappiragasam, SRH Hoole Journal of Computational Intelligence and Electronic Systems 3 (04), 312–316, 2014 | 2* | 2014 |
| Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and refinement RB Davidson, M Thavappiragasam, TC Effler, J Woods, DA Elias, ... Proceedings of the 12th ACM Conference on Bioinformatics, Computational …, 2021 | 1 | 2021 |
| Using Python for Improved Productivity in HPC and Data Science Applications: the Time is Now J Woods, M Baker, M Thavappiragasam, A Sedova, O Hernandez, ... 2020 Collegeville Workshop on Scientific Software, 2020 | 1 | 2020 |
| GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research (preprint) S LeGrand, A Scheinberg, AF Tillack, M Thavappiragasam, JV Vermaas, ... | 1 | 2020 |
| A-Stable Implicit Rapid Scheme and Software Solution for Electromagnetic Wave Propagation M Thavappiragsam Michigan State University, ProQuest Dissertations Publishing, 2019 | 1 | 2019 |
| Heuristic parallelizable algorithm for similarity based biosystems comparison M Thavappiragasam, CM Lushbough, EZ Gnimpieba Proceedings of the 5th ACM Conference on Bioinformatics, Computational …, 2014 | 1 | 2014 |
Ada SedovaOak Ridge National LaboratoryVerified email at ornl.gov
