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Mohammad Mehdi Ghahremanpour

Mohammad Mehdi Ghahremanpour

Yale University - New Haven / United States
Engineering & Technology / Computer Science
AD Scientific Index ID: 940255
person_outline Mohammad Mehdi Ghahremanpour's MOST POPULAR ARTICLES
1-) Potent noncovalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug perampanel guided by free energy perturbation calculations ACS central science 7 (3), 467-475, 2021
2-) Identification of 14 known drugs as inhibitors of the main protease of SARS-CoV-2 ACS medicinal chemistry letters 11 (12), 2526-2533, 2020
3-) Large-scale calculations of gas phase thermochemistry: Enthalpy of formation, standard entropy, and heat capacity The Journal of Chemical Physics 145 (11), 2016
4-) Theoretical infrared spectra: quantitative similarity measures and force fields Journal of chemical theory and computation 16 (5), 3307-3315, 2020
5-) The Alexandria library, a quantum-chemical database of molecular properties for force field development Scientific data 5 (1), 1-10, 2018