Articles with public access mandates - Austin ClydeLearn more
Available somewhere: 22
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell stem cell 29 (2), 217-231. e8, 2022
Mandates: German Research Foundation, Netherlands Organisation for Scientific Research …
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
Mandates: US National Science Foundation, US Department of Energy, US National …
High-throughput virtual screening and validation of a SARS-CoV-2 main protease noncovalent inhibitor
A Clyde, S Galanie, DW Kneller, H Ma, Y Babuji, B Blaiszik, A Brace, ...
Journal of chemical information and modeling 62 (1), 116-128, 2021
Mandates: US Department of Energy
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The international journal of high performance computing applications 37 (1 …, 2023
Mandates: US National Science Foundation, US Department of Energy, US National …
A cross-study analysis of drug response prediction in cancer cell lines
F Xia, J Allen, P Balaprakash, T Brettin, C Garcia-Cardona, A Clyde, ...
Briefings in bioinformatics 23 (1), bbab356, 2022
Mandates: US Department of Energy, US National Institutes of Health
Deep learning methods for drug response prediction in cancer: predominant and emerging trends
A Partin, TS Brettin, Y Zhu, O Narykov, A Clyde, J Overbeek, RL Stevens
Frontiers in medicine 10, 1086097, 2023
Mandates: US Department of Energy, US National Institutes of Health
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ...
Science 382 (6671), eabo7201, 2023
Mandates: UK Engineering and Physical Sciences Research Council, Wellcome Trust
Structural, electronic, and electrostatic determinants for inhibitor binding to subsites S1 and S2 in SARS-CoV-2 main protease
DW Kneller, H Li, S Galanie, G Phillips, A Labbé, KL Weiss, Q Zhang, ...
Journal of medicinal chemistry 64 (23), 17366-17383, 2021
Mandates: US Department of Energy, US National Institutes of Health
Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors
COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ...
BioRxiv, 2020.10. 29.339317, 2020
Mandates: Wellcome Trust
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning-and physics-based simulations on high-performance computers
AP Bhati, S Wan, D Alfè, AR Clyde, M Bode, L Tan, M Titov, A Merzky, ...
Interface focus 11 (6), 20210018, 2021
Mandates: US Department of Energy, US National Institutes of Health, UK Medical …
Impeccable: Integrated modeling pipeline for covid cure by assessing better leads
AA Saadi, D Alfe, Y Babuji, A Bhati, B Blaiszik, A Brace, T Brettin, K Chard, ...
Proceedings of the 50th International Conference on Parallel Processing, 1-12, 2021
Mandates: US Department of Energy, US National Institutes of Health, UK Medical …
Learning curves for drug response prediction in cancer cell lines
A Partin, T Brettin, YA Evrard, Y Zhu, H Yoo, F Xia, S Jiang, A Clyde, ...
BMC bioinformatics 22, 1-18, 2021
Mandates: US Department of Energy, US National Institutes of Health
Scalable HPC & AI infrastructure for COVID-19 therapeutics
H Lee, A Merzky, L Tan, M Titov, M Turilli, D Alfe, A Bhati, A Brace, ...
Proceedings of the Platform for Advanced Scientific Computing Conference, 1-13, 2021
Mandates: US Department of Energy, UK Medical Research Council, European Commission
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
A Clyde, X Liu, T Brettin, H Yoo, A Partin, Y Babuji, B Blaiszik, ...
Scientific reports 13 (1), 2105, 2023
Mandates: US Department of Energy
Intelligent resolution: Integrating cryo-em with ai-driven multi-resolution simulations to observe the sars-cov-2 replication-transcription machinery in action
A Trifan, D Gorgun, Z Li, A Brace, M Zvyagin, H Ma, A Clyde, D Clark, ...
bioRxiv, 2021.10. 09.463779, 2021
Mandates: US Department of Energy, US National Institutes of Health
Ai-accelerated design of targeted covalent inhibitors for SARS-CoV-2
RP Joshi, KJ Schultz, JW Wilson, A Kruel, RA Varikoti, CJ Kombala, ...
Journal of Chemical Information and Modeling 63 (5), 1438-1453, 2023
Mandates: US Department of Energy
Regression enrichment surfaces: a simple analysis technique for virtual drug screening models
A Clyde, X Duan, R Stevens
arXiv preprint arXiv:2006.01171, 2020
Mandates: US Department of Energy, US National Institutes of Health
Stream-ai-md: Streaming ai-driven adaptive molecular simulations for heterogeneous computing platforms
A Brace, M Salim, V Subbiah, H Ma, M Emani, A Trifa, AR Clyde, C Adams, ...
Proceedings of the Platform for Advanced Scientific Computing Conference, 1-13, 2021
Mandates: US Department of Energy
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription …
A Trifan, D Gorgun, M Salim, Z Li, A Brace, M Zvyagin, H Ma, A Clyde, ...
The international journal of high performance computing applications 36 (5-6 …, 2022
Mandates: US Department of Energy, US National Institutes of Health, UK Medical …
ChemoGraph: interactive visual exploration of the chemical space
B Kale, A Clyde, M Sun, A Ramanathan, R Stevens, ME Papka
Computer Graphics Forum 42 (3), 13-24, 2023
Mandates: US National Science Foundation, US Department of Energy, US National …
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