Abraham C. Stern

Computer Science · Physical Sciences

22h-index2.2kcitations42works3.32yr avg
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Research Topics

Computational Drug Discovery Methods(9), Spectroscopy and Quantum Chemical Studies(8), Machine Learning in Materials Science(7), Advanced Chemical Physics Studies(5), Bioinformatics and Genomic Networks(5)

Publications42 total

Protein Sequence Generation using Properties
2026Open Access
The transformational role of GPU computing and deep learning in drug discovery
UNC Libraries·2025Open Access
PRO-GO: Reference Guided Protein Sequence Generation using Gene Ontology Terms
2025Open Access
PRO-GO: Reference-Guided Protein Sequence Generation Using Gene Ontology Terms
IEEE Access·2025Open Access
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
arXiv (Cornell University)·2024· 10 citedOpen Access
Folding the human proteome using BioNeMo: A fused dataset of structural models for machine learning purposes
Scientific Data·2024· 10 citedOpen Access
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
The International Journal of High Performance Computing Applications·2022· 87 citedOpen Access
The transformational role of GPU computing and deep learning in drug discovery
Nature Machine Intelligence·2022· 244 citedOpen Access
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
Nature Protocols·2022· 357 citedOpen Access
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol
2021· 28 citedOpen Access
DD-GUI: a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking)
Bioinformatics·2021· 19 cited
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
2021· 11 citedOpen Access
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
UCL Discovery (University College London)·2021· 28 citedOpen Access
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
The International Journal of High Performance Computing Applications·2021· 173 citedOpen Access
Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules
Chemical Science·2021· 67 citedOpen Access
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
2020· 46 citedOpen Access
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
arXiv (Cornell University)·2020· 3 citedOpen Access
MPMC and MCMD: Free High‐Performance Simulation Software for Atomistic Systems
Advanced Theory and Simulations·2019· 16 citedOpen Access
Specific cation effects at aqueous solution−vapor interfaces: Surfactant-like behavior of Li <sup>+</sup> revealed by experiments and simulations
Proceedings of the National Academy of Sciences·2017· 42 citedOpen Access
Surface-dominated conduction up to 240 K in the Kondo insulator SmB6 under strain
Nature Materials·2017· 38 citedOpen Access
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Frequent Co-authors

Brian Space(9), Douglas J. Tobias(9), Anda Trifan(7), Hyungro Lee(7), Matteo Turilli(7), Tom Gibbs(7), Shantenu Jha(7), Arvind Ramanathan(7), Jonathan L. Belof(6), Alexander Brace(6), Austin Clyde(6), Heng Ma(6), Francesco Gentile(5), Artem Cherkasov(5), Thorsten Kurth(5), Michael Fernández(4), Marcel D. Baer(4), Christopher J. Mundy(4), Lorenzo Casalino(4), Abigail C. Dommer(4)