Hyungro Lee

According to our database, Hyungro Lee authored at least 23 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

alchemlyb: the simple alchemistry library.

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

J. Open Source Softw., 2024

Final Report for CHESS: Cloud, High-Performance Computing, and Edge for Science and Security.

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

CoRR, 2024

2023

Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting.

Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy

J. Chem. Inf. Model., September, 2023

Data for manuscript "Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting".

Daipayan Sarkar, Hyungro Lee, John W. Vant, Matteo Turilli, Josh Vincent Vermaas, Shantenu Jha, Abhishek Singharoy

Dataset, March, 2023

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.

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

Int. J. High Perform. Comput. Appl., 2023

Data Flow Lifecycles for Optimizing Workflow Coordination.

Hyungro Lee, Luanzheng Guo, Meng Tang, Jesun Firoz, Nathan R. Tallent, Anthony Kougkas, Xian-He Sun

Proceedings of the International Conference for High Performance Computing, 2023

2022

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.

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

J. Chem. Inf. Model., 2022

Coupling streaming AI and HPC ensembles to achieve 100-1000× faster biomolecular simulations.

Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd S. Munson, Ian T. Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha

Proceedings of the 2022 IEEE International Parallel and Distributed Processing Symposium, 2022

Sparse Deep Neural Network Inference Using Different Programming Models.

Hyungro Lee, Milan Jain, Sayan Ghosh

Proceedings of the IEEE High Performance Extreme Computing Conference, 2022

2021

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.

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

Int. J. High Perform. Comput. Appl., 2021

Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles.

Alexander Brace, Hyungro Lee, Heng Ma, Anda Trifan, Matteo Turilli, Igor Yakushin, Todd S. Munson, Ian T. Foster, Shantenu Jha, Arvind Ramanathan

CoRR, 2021

Scalable HPC & AI infrastructure for COVID-19 therapeutics.

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

Proceedings of the PASC '21: Platform for Advanced Scientific Computing Conference, 2021

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads.

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

Proceedings of the ICPP 2021: 50th International Conference on Parallel Processing, Lemont, IL, USA, August 9, 2021

2020

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics.

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

CoRR, 2020

2019

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.

Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan

Proceedings of the Third IEEE/ACM Workshop on Deep Learning on Supercomputers, 2019

Deep Generative Model Driven Protein Folding Simulations.

Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan

Proceedings of the Parallel Computing: Technology Trends, 2019

Big Data Benchmarks of High-Performance Storage Systems on Commercial Bare Metal Clouds.

Hyungro Lee, Geoffrey C. Fox

Proceedings of the 12th IEEE International Conference on Cloud Computing, 2019

2018

Evaluation of Production Serverless Computing Environments.

Hyungro Lee, Kumar Satyam, Geoffrey C. Fox

Proceedings of the 11th IEEE International Conference on Cloud Computing, 2018

2017

Efficient Software Defined Systems Using Common Core Components.

Hyungro Lee, Geoffrey C. Fox

Proceedings of the 2017 IEEE 10th International Conference on Cloud Computing (CLOUD), 2017

2016

MGEScan: a Galaxy-based system for identifying retrotransposons in genomes.

Hyungro Lee, Min Su Lee, Wazim Mohammed Ismail, Mina Rho, Geoffrey C. Fox, Sangyoon Oh, Haixu Tang

Bioinform., 2016

2014

Accessing multiple clouds with cloudmesh.

Gregor von Laszewski, Fugang Wang, Hyungro Lee, Heng Chen, Geoffrey Charles Fox

Proceedings of the BigSystem'14, 2014

2013

Bio and health informatics meets cloud : BioVLab as an example.

Heejoon Chae, Inuk Jung, Hyungro Lee, Suresh Marru, Seong-Whan Lee, Sun Kim

Health Inf. Sci. Syst., 2013

2011

BioVLAB-MMIA: A Reconfigurable Cloud Computing Environment for microRNA and mRNA Integrated Analysis.

Hyungro Lee, Youngik Yang, Heejoon Chae, Seungyoon Nam, Donghoon Choi, Patanachai Tangchaisin, Chathura Herath, Suresh Marru, Kenneth P. Nephew, Sun Kim

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2011