Scott LeGrand
Nvidia (United States)(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Protein Degradation and Inhibitors, Advanced Chemical Physics Studies
Most-Cited Works
- → Accelerating molecular dynamic simulation on graphics processing units(2009)545 cited
- → GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features(2018)477 cited
- Amber 2021: Reference Manual(2021)
- → 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
- → Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking(2021)38 cited
- → Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19(2020)24 cited
- → GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research(2020)22 cited
- THE EFFECTIVENESS OF A TWO-LAYER NEURAL NETWORK FOR RECOMMENDATIONS(2018)