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 (BIBM, 2011)

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)

Accessing multiple clouds with cloudmesh. - Gregor von Laszewski; Fugang Wang; Hyungro Lee; Heng Chen; Geoffrey Charles Fox (BigSystem@HPDC, 2014)

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 001; Haixu Tang (Bioinform., 2016)

Efficient Software Defined Systems Using Common Core Components. - Hyungro Lee; Geoffrey C. Fox (CLOUD, 2017)

Evaluation of Production Serverless Computing Environments. - Hyungro Lee; Kumar Satyam; Geoffrey C. Fox (IEEE CLOUD, 2018)

Big Data Benchmarks of High-Performance Storage Systems on Commercial Bare Metal Clouds. - Hyungro Lee; Geoffrey C. Fox (CLOUD, 2019)

Deep Generative Model Driven Protein Folding Simulations. - Heng Ma; Debsindhu Bhowmik; Hyungro Lee; Matteo Turilli; Michael T. Young; Shantenu Jha; Arvind Ramanathan (PARCO, 2019)

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding. - Hyungro Lee; Matteo Turilli; Shantenu Jha; Debsindhu Bhowmik; Heng Ma; Arvind Ramanathan (DLS@SC, 2019)

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; et al. (CoRR, 2020)

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; et al. (ICPP, 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; et al. (PASC, 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)

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; et al. (Int. J. High Perform. Comput. Appl., 2021)

Sparse Deep Neural Network Inference Using Different Programming Models. - Hyungro Lee; Milan Jain; Sayan Ghosh (HPEC, 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 (IPDPS, 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; et al. (J. Chem. Inf. Model., 2022)

Data Flow Lifecycles for Optimizing Workflow Coordination. - Hyungro Lee; Luanzheng Guo; Meng Tang; Jesun Firoz; Nathan R. Tallent; Anthony Kougkas; Xian-He Sun (SC, 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 003; A. Sofia F. Oliveira; Clare Morris; Anthony T. Bogetti; Anda Trifan; Alexander Brace; et al. (Int. J. High Perform. Comput. Appl., 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 (Zenodo, 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., 2023)

Identifying Outliers in AI-based Image Compression. - Rizwan A. Ashraf; Luanzheng Guo; Hyungro Lee; Nathan R. Tallent (IEEE Big Data, 2024)

Improving I/O-aware Workflow Scheduling via Data Flow Characterization and trade-off Analysis. - Luanzheng Guo; Meng Tang; Hyungro Lee; Jesun Firoz; Nathan R. Tallent (IEEE Big Data, 2024)

Final Report for CHESS: Cloud, High-Performance Computing, and Edge for Science and Security. - Nathan R. Tallent; Jan Strube 001; Luanzheng Guo; Hyungro Lee; Jesun Firoz; Sayan Ghosh; Bo Fang 002; Oceane Bel; Steven R. Spurgeon; Sarah Akers; Christina Doty; Erol Cromwell (CoRR, 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; et al. (J. Open Source Softw., 2024)

alchemlyb. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

alchemlyb: the simple alchemistry library. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

alchemlyb: the simple alchemistry library. - David L. Dotson; Ian M. Kenney; Oliver Beckstein; Shuai Liu; Travis Jensen; Bryce K. Allen; Dominik Wille; Victoria T. Lim; Hyungro Lee; Mohammad Soroush Barhaghi; Zhiyi Wu; Wei-Tse Hsu; et al. (Zenodo, 2024)

FlowForecaster: Automatically Inferring Detailed & Interpretable Workflow Scaling Models for Forecasts. - Hyungro Lee; Jesun Firoz; Nathan R. Tallent; Luanzheng Guo; Mahantesh Halappanavar (IPDPS, 2025)

FastFlow: Rapid Workflow Response By Prioritizing Critical Data Flows and their Interactions. - Jesun Sahariar Firoz; Hyungro Lee; Luanzheng Guo; Meng Tang; Nathan R. Tallent; Zhen Peng (SSDBM, 2025)