20 citations · 20 across the 1 of their papers we have counts for
3 papers
q-bio.BM2020★ 20 cited
Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release
Yadu Babuji, Ben Blaiszik, Tom Brettin +15
Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute re…
cs.DC2019
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding
Hyungro Lee, Heng Ma, Matteo Turilli +3
Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing c…
q-bio.BM2019
Deep Generative Model Driven Protein Folding Simulation
Heng Ma, Debsindhu Bhowmik, Hyungro Lee +4
Significant progress in computer hardware and software have enabled molecular dynamics (MD) simulations to model complex biological phenomena such as protein folding. However, enab…