Publications by authors named "Alexander Brace"

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Unsupervised Learning of Progress Coordinates during Weighted Ensemble Simulations: Application to NTL9 Protein Folding.
Jeremy M G Leung, Nicolas C Frazee, Alexander Brace, Anthony T Bogetti, Arvind Ramanathan

J Chem Theory Comput· April 2025

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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Alexander Brace

Int J High Perform Comput Appl· January 2023

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Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action.
Anda Trifan, Defne Gorgun, Michael Salim, Zongyi Li, Alexander Brace

Int J High Perform Comput Appl· November 2022

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GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.
Maxim Zvyagin, Alexander Brace, Kyle Hippe, Yuntian Deng, Bin Zhang

bioRxiv· November 2022

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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 Babuji, Alexander Brace

J Chem Inf Model· January 2022

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#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Alexander Brace

bioRxiv· November 2021

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AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Alexander Brace

Int J High Perform Comput Appl· September 2021

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AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Alexander Brace

bioRxiv· November 2020

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