Mathialakan Thavappiragasam
Argonne National Laboratory(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Parallel Computing and Optimization Techniques, Distributed and Parallel Computing Systems, Electromagnetic Scattering and Analysis
Most-Cited Works
- → Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19(2020)187 cited
- → GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer(2020)51 cited
- → High-throughput virtual laboratory for drug discovery using massive datasets(2021)47 cited
- → GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research(2020)22 cited
- → Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms(2020)8 cited
- → Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?(2022)7 cited
- → Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs(2021)6 cited
- → A fast local embedded boundary method suitable for high power electromagnetic sources(2020)4 cited