Mohammad Mehdi Ghahremanpour

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

Chunhui Zhang, Elizabeth A. Stone, M.G. Deshmukh et al. · ACS Central Science · 2021 · 259 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

Mohammad Mehdi Ghahremanpour, Julian Tirado‐Rives, M.G. Deshmukh et al. · ACS Medicinal Chemistry Letters · 2020 · 220 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity

Mohammad Mehdi Ghahremanpour, Paul J. van Maaren, Jonas C. Ditz et al. · The Journal of Chemical Physics · 2016 · 94 citations · Full text

Natural Sciences, Chemistry, Physics +14

The Alexandria library, a quantum-chemical database of molecular properties for force field development

Mohammad Mehdi Ghahremanpour, Paul J. van Maaren, David van der Spoel · Scientific Data · 2018 · 85 citations · Full text

Natural Sciences, Chemistry, Physics +17

Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henning Henschel, Alfred T. Andersson, Willem Jespers et al. · Journal of Chemical Theory and Computation · 2020 · 72 citations · Full text

Natural Sciences, Chemistry, Physics +16