Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2

Autor: Yadav, Rohitash, Hasan, Shazia, Mahato, Sumit, Celik, Ismail, Mary, Y.S., Kumar, Ashish, Dhamija, Puneet, Sharma, Ambika, Choudhary, Neha, Chaudhary, Pankaj Kumar, Kushwah, Ankita Singh, Chaudhary, Jitendra Kumar
Zdroj: In Journal of Molecular Liquids 15 November 2021 342
Databáze: ScienceDirect