De novo design of novel spike glycoprotein inhibitors using e-pharmacophore modeling, molecular hybridization, ADMET, quantum mechanics and molecular dynamics studies for COVID-19 Page No: 313-321

By: Abdulrahim A Alzain, Abdalla Ismail, Mohammed Fadlelmola, Magdi A Mohamed, Mohanad Mahjoub, Alaa A Makki, Tilal Elsaman

Keywords: SARS-COV-2, spike glycoprotein, pharmacophore mapping and screening, FBDD, molecular docking, molecular dynamics, DFT

Abstract: The pandemic COVID-19, caused by SARS-COV-2, has been a global concern and burden since April 2020

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