Publications

You can also find a full list of my articles on my Google Scholar profile.

Recent publications

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

Published in biorXiv, 2020

This paper is about AI workflow for COVID-19 research using HPC resource

Recommended citation: Casalino, L., Dommer, A.C., Gaieb, Z., Barros, E.P., Sztain, T., Ahn, S.H., Trifan, A., Brace, A., Ma, H., Lee, H. and Turilli, M., 2020. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. BioRxiv. https://www.biorxiv.org/content/10.1101/2020.11.19.390187v1.full-text

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics

Published in arXiv, 2020

This paper is about COVID-19 research using HPC resource

Recommended citation: Lee, H., Merzky, A., Tan, L., Titov, M., Turilli, M., Alfe, D., Bhati, A., Brace, A., Clyde, A., Coveney, P. and Ma, H., 2020. Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. arXiv preprint arXiv:2010.10517. https://arxiv.org/pdf/2010.10517

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

Published in SC19, 2019

This paper is about AI-driven workflow on supercomputers

Recommended citation: Lee, Hyungro, et al. "DeepDriveMD: Deep-learning driven adaptive molecular simulations for protein folding." 2019 IEEE/ACM Third Workshop on Deep Learning on Supercomputers (DLS). IEEE, 2019. https://ieeexplore.ieee.org/abstract/document/8945122

Hyungro Lee

Publications

Recent publications

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics

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