Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2
Manisha Prajapat, Nishant Shekhar, Phulen Sarma, Pramod Avti, Sanjay Kumar Singh, Hardeep Kaur, Anusuya Bhattacharyya, Subodh Kumar, Saurabh Sharma, Ajay Prakash, Bikash Medhi
Topics & Concepts
Virtual screeningDocking (animal)Molecular dynamicsComputational biologyProtein–protein interactionProtein Data Bank (RCSB PDB)Binding siteChemistryBiologyBiochemistryMedicineComputational chemistryNursingSARS-CoV-2 and COVID-19 ResearchCOVID-19 Clinical Research StudiesDiverse Scientific Research Studies