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Journal of Chemical Information and Modeling|August 10, 2023
Computation of Absolute Binding Free Energies for Noncovalent Inhibitors with SARS-CoV-2 Main ProteaseMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.The Journal of Physical Chemistry. B|December 21, 2023
OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and EthersWilliam L Jorgensen, Mohammad M Ghahremanpour, Anastasia Saar, et al.Journal of Chemical Information and Modeling|November 22, 2023
Ensemble Geometric Deep Learning of Aqueous SolubilityMohammad M Ghahremanpour, Anastasia Saar, Julian Tirado-Rives, et al.Journal of Chemical Information and Modeling|November 7, 2023
Assessing Metadynamics and Docking for Absolute Binding Free Energy Calculations Using Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease InhibitorsAnastasia Saar, Mohammad M Ghahremanpour, Julian Tirado-Rives, et al.Pageof 1