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2020 – today
- 2024
[j7]Zhiyi Wu
, David L. Dotson, Irfan Alibay, Bryce K. Allen, Mohammad Soroush Barhaghi, Jérôme Hénin, Thomas T. Joseph, Ian M. Kenney, Hyungro Lee, Haoxi Li, Victoria T. Lim, Shuai Liu, Domenico Marson, Pascal T. Merz, Alexander Schlaich, David L. Mobley, Michael R. Shirts, Oliver Beckstein:
alchemlyb: the simple alchemistry library. J. Open Source Softw. 9(101): 6934 (2024)- [i5]Nathan R. Tallent, Jan Strube, Luanzheng Guo, Hyungro Lee, Jesun Firoz, Sayan Ghosh, Bo Fang, Oceane Bel, Steven R. Spurgeon, Sarah Akers, Christina Doty, Erol Cromwell:
Final Report for CHESS: Cloud, High-Performance Computing, and Edge for Science and Security. CoRR abs/2410.16093 (2024) - 2023
- [j6]Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns, Mia A. Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, A. Sofia F. Oliveira, Clare Morris, Anthony T. Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, S. Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders S. Christensen, Daniel G. A. Smith, Zhuoran Qiao, Sai K. Sirumalla, Michael O'Connor, Frederick R. Manby, Anima Anandkumar, David J. Hardy, James C. Phillips, Abraham C. Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John D. McCalpin, Christopher J. Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John E. Stone, Daniel M. Zuckerman, Adrian J. Mulholland, Thomas F. Miller III, Shantenu Jha, Arvind Ramanathan, Lillian T. Chong, Rommie E. Amaro:
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. Int. J. High Perform. Comput. Appl. 37(1): 28-44 (2023) - [j5]Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy:
Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting. J. Chem. Inf. Model. 63(18): 5834-5846 (2023) - [c12]Hyungro Lee, Luanzheng Guo, Meng Tang, Jesun Firoz, Nathan R. Tallent, Anthony Kougkas, Xian-He Sun:
Data Flow Lifecycles for Optimizing Workflow Coordination. SC 2023: 58:1-58:15 - [d1]Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy:
Data for manuscript "Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting". Zenodo, 2023
- 2022
- [j4]Austin Clyde, Stephanie Galanie, Daniel W. Kneller, Heng Ma, Yadu N. Babuji, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Leighton Coates, Ian T. Foster, Darin Hauner, Vilmos Kertesz, Neeraj Kumar, Hyungro Lee, Zhuozhao Li, André Merzky, Jurgen G. Schmidt, Li Tan, Mikhail Titov, Anda Trifan, Matteo Turilli, Hubertus Van Dam, Srinivas C. Chennubhotla, Shantenu Jha, Andrey Kovalevsky, Arvind Ramanathan, Martha S. Head, Rick Stevens:
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J. Chem. Inf. Model. 62(1): 116-128 (2022) - [c11]Hyungro Lee, Milan Jain, Sayan Ghosh:
Sparse Deep Neural Network Inference Using Different Programming Models. HPEC 2022: 1-6 - [c10]Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd S. Munson, Ian T. Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha:
Coupling streaming AI and HPC ensembles to achieve 100-1000× faster biomolecular simulations. IPDPS 2022: 806-816 - 2021
- [j3]Lorenzo Casalino, Abigail C. Dommer, Zied Gaieb, Emília P. Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, Alexander Brace, Anthony T. Bogetti, Austin Clyde, Heng Ma, Hyungro Lee, Matteo Turilli, Syma Khalid, Lillian T. Chong, Carlos Simmerling, David J. Hardy, Julio D. C. Maia, James C. Phillips, Thorsten Kurth, Abraham C. Stern, Lei Huang, John D. McCalpin, Mahidhar Tatineni, Tom Gibbs, John E. Stone, Shantenu Jha, Arvind Ramanathan, Rommie E. Amaro:
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. Int. J. High Perform. Comput. Appl. 35(5) (2021) - [c9]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Dieter Kranzlmüller, Thorsten Kurth, Hyungro Lee, Zhuozhao Li, Heng Ma, Gerald Mathias, André Merzky, Alexander Partin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Anda Trifan, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling, Junqi Yin:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 2021: 40:1-40:12 - [c8]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 2021: 2:1-2:13 - [i4]Alexander Brace, Hyungro Lee, Heng Ma, Anda Trifan, Matteo Turilli, Igor Yakushin, Todd S. Munson, Ian T. Foster, Shantenu Jha, Arvind Ramanathan:
Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles. CoRR abs/2104.04797 (2021) - 2020
- [i3]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Thorsten Kurth, Dieter Kranzlmüller, Hyungro Lee, Zhuozhao Li, Heng Ma, André Merzky, Gerald Mathias, Alexander Partin, Junqi Yin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR abs/2010.06574 (2020) - [i2]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR abs/2010.10517 (2020)
2010 – 2019
- 2019
- [c7]Hyungro Lee, Geoffrey C. Fox:
Big Data Benchmarks of High-Performance Storage Systems on Commercial Bare Metal Clouds. CLOUD 2019: 1-8 - [c6]Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan:
Deep Generative Model Driven Protein Folding Simulations. PARCO 2019: 45-55 - [c5]Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. DLS@SC 2019: 12-19 - [i1]Hyungro Lee, Heng Ma, Matteo Turilli, Debsindhu Bhowmik, Shantenu Jha, Arvind Ramanathan:
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. CoRR abs/1909.07817 (2019) - 2018
- [c4]Hyungro Lee, Kumar Satyam, Geoffrey C. Fox:
Evaluation of Production Serverless Computing Environments. IEEE CLOUD 2018: 442-450 - 2017
- [c3]Hyungro Lee, Geoffrey C. Fox:
Efficient Software Defined Systems Using Common Core Components. CLOUD 2017: 407-414 - 2016
- [j2]Hyungro Lee, Min Su Lee, Wazim Mohammed Ismail, Mina Rho, Geoffrey C. Fox, Sangyoon Oh, Haixu Tang:
MGEScan: a Galaxy-based system for identifying retrotransposons in genomes. Bioinform. 32(16): 2502-2504 (2016) - 2014
- [c2]Gregor von Laszewski, Fugang Wang, Hyungro Lee, Heng Chen, Geoffrey Charles Fox:
Accessing multiple clouds with cloudmesh. BigSystem@HPDC 2014: 21-28 - 2013
- [j1]Heejoon Chae, Inuk Jung, Hyungro Lee, Suresh Marru, Seong-Whan Lee, Sun Kim:
Bio and health informatics meets cloud : BioVLab as an example. Health Inf. Sci. Syst. 1(1): 6 (2013) - 2011
- [c1]Hyungro Lee, Youngik Yang, Heejoon Chae, Seungyoon Nam, Donghoon Choi, Patanachai Tangchaisin, Chathura Herath, Suresh Marru, Kenneth P. Nephew, Sun Kim:
BioVLAB-MMIA: A Reconfigurable Cloud Computing Environment for microRNA and mRNA Integrated Analysis. BIBM 2011: 494-499
Coauthor Index
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