D. Poole

Most-cited papers

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald.
Romelia Salomón-Ferrer, A. Götz, D. Poole, Scott M. Le Grand +1 more
2013Journal of Chemical Theory and Computation3,146 citations
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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
A. Götz, M. Williamson, Dong Xu, D. Poole +2 more
2012Journal of Chemical Theory and Computation2,009 citations Open access
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UCX: An Open Source Framework for HPC Network APIs and Beyond
Pavel Shamis, Manjunath Gorentla Venkata, M. G. Lopez, M. Baker +16 more
20152015 IEEE 23rd Annual Symposium on High-Performance Interconnects193 citations Open access
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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
A. Acharya, R. Agarwal, M. Baker, J. Baudry +45 more
2020Journal of Chemical Information and Modeling147 citations Open access
Semantic Scholar
Parallel Performance Measurement of Heterogeneous Parallel Systems with GPUs
A. Malony, S. Biersdorff, S. Shende, Heike Jagode +5 more
2011International Conference on Parallel Processing91 citations
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GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
S. LeGrand, A. Scheinberg, A. Tillack, M. Thavappiragasam +11 more
2020ACM International Conference on Bioinformatics, Computational Biology and Biomedicine65 citations Open access
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Exploring OpenSHMEM Model to Program GPU-based Extreme-Scale Systems
S. Potluri, D. Rossetti, Donald Becker, D. Poole +6 more
2015Workshop on OpenSHMEM and Related Technologies17 citations
Semantic Scholar
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
A. Acharya, R. Agarwal, M. Baker, J. Baudry +47 more
2020Journal of Chemical Information and Modeling14 citations Open access
Semantic Scholar