AS
Abraham C. Stern
AIbiophysicscomputational virologycond-mat.softdeep learningGPUHPCmolecular dynamicsmultiscale simulationSARS-CoV-2
On Valency
published · living versionsW_z5qwyvew·v1 · currentpublished
El Agente Fármaco: A Scalable AI Scientist for Drug Discovery
with Marcel Müller, Mohammad Ghazi Vakili, Yoshihiro Ogura, Ella Ashoori +11
1 version
Preprints & journals
18 papers in the corpus · 2007–2024BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery2411.10548v5 · Peter St. John, Dejun Lin, Polina Binder et al.2024 · 11 citationsarXiv
Folding the human proteome using BioNeMo: A fused dataset of structural models for machine learning purposes.38844754 · Hetmann, Michael, Parigger, Lena, Sirelkhatim, Hassan et al.2024 · 12 citationsScientific data. 2024;11(1):591
Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking.35121854 · Gentile, Francesco, Yaacoub, Jean Charle, Gleave, James et al.2022 · 393 citationsNature protocols. 2022;17(3):672-697
DD-GUI: a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking).34788802 · Yaacoub, Jean Charle, Gleave, James, Gentile, Francesco et al.2023 · 17 citationsBioinformatics (Oxford, England). 2022;38(4):1146-1148
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol.34816263 · Dommer, Abigail, Casalino, Lorenzo, Kearns, Fiona et al.2026 · 109 citationsbioRxiv : the preprint server for biology. 2021
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.33236007 · Casalino, Lorenzo, Dommer, Abigail, Gaieb, Zied et al.2024 · 193 citationsbioRxiv : the preprint server for biology. 2020
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads2010.06574v1 · Aymen Al Saadi, Dario Alfe, Yadu Babuji et al.2020 · 35 citationsarXiv
Specific cation effects at aqueous solution-vapor interfaces: Surfactant-like behavior of Li+ revealed by experiments and simulations.29078311 · Perrine, Kathryn A, Parry, Krista M, Stern, Abraham C et al.2018 · 46 citationsProceedings of the National Academy of Sciences of the United States of America. 2017;114(51):13363-13368
Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature.24352159 · Nishino, Noriko, Hollingsworth, Scott A, Stern, Abraham C et al.2014 · 7 citationsPhysical chemistry chemical physics : PCCP. 2014;16(6):2358-67
The Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface1307.1655v1 · Marcel D. Baer, Abraham C. Stern, Yan Levin et al.2013 · 77 citationsJ. Phys. Chem. Lett. 3, 1565 (2012)
Thermodynamics of iodide adsorption at the instantaneous air-water interface.23534655 · Stern, Abraham C, Baer, Marcel D, Mundy, Christopher J et al.2013 · 54 citationsThe Journal of chemical physics. 2013;138(11):114709
Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces.23331311 · Tobias, Douglas J, Stern, Abraham C, Baer, Marcel D et al.2013 · 174 citationsAnnual review of physical chemistry. 2013;64:339-59
Experimental and theoretical studies of the interaction of gas phase nitric acid and water with a self-assembled monolayer.23160633 · Moussa, S G, Stern, A C, Raff, J D et al.2013 · 16 citationsPhysical chemistry chemical physics : PCCP. 2013;15(2):448-58
Understanding hydrogen sorption in a polar metal-organic framework with constricted channels.22280775 · Stern, Abraham C, Belof, Jonathan L, Eddaoudi, Mohamed et al.2012 · 24 citationsThe Journal of chemical physics. 2012;136(3):034705
Dissociation of strong acid revisited: X-ray photoelectron spectroscopy and molecular dynamics simulations of HNO3 in water.21688845 · Lewis, Tanza, Winter, Bernd, Stern, Abraham C et al.2011 · 57 citationsThe journal of physical chemistry. B. 2011;115(30):9445-51
Atomic charges derived from electrostatic potentials for molecular and periodic systems.20795694 · Chen, De-Li, Stern, Abraham C, Space, Brian et al.2011 · 80 citationsThe journal of physical chemistry. A. 2010;114(37):10225-33
An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation.26631708 · Belof, Jonathan L, Stern, Abraham C, Space, Brian2015 · 104 citationsJournal of chemical theory and computation. 2008;4(8):1332-7
On the mechanism of hydrogen storage in a metal-organic framework material.17999501 · Belof, Jonathan L, Stern, Abraham C, Eddaoudi, Mohamed et al.2008 · 204 citationsJournal of the American Chemical Society. 2007;129(49):15202-10
Career total: 45 works. 18 are in this corpus.
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