Alexander Brace
Argonne National Laboratory(US)University of Chicago(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Scientific Computing and Data Management, Genomics and Phylogenetic Studies, Computational Drug Discovery Methods, Machine Learning in Materials Science
Most-Cited Works
- → AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics(2021)177 cited
- → High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor(2021)107 cited
- → #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol(2022)90 cited
- → GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics(2023)74 cited
- IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads(2021)
- → High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor(2021)25 cited
- → Coupling streaming AI and HPC ensembles to achieve 100–1000× faster biomolecular simulations(2022)20 cited