Abraham C. Stern
Publications by Year
Research Areas
Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Advanced Chemical Physics Studies, Bioinformatics and Genomic Networks
Most-Cited Works
- → Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking(2022)367 cited
- → The transformational role of GPU computing and deep learning in drug discovery(2022)249 cited
- → On the Mechanism of Hydrogen Storage in a Metal−Organic Framework Material(2007)199 cited
- → Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces(2013)183 cited
- → AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics(2021)177 cited
- → An Accurate and Transferable Intermolecular Diatomic Hydrogen Potential for Condensed Phase Simulation(2008)102 cited
- → #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol(2022)90 cited
- → Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61(2012)80 cited
- → Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems(2010)79 cited
- → Does Nitric Acid Dissociate at the Aqueous Solution Surface?(2011)79 cited