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Structural Chemistry|September 26, 2022
Designing multi-epitope based peptide vaccine targeting spike protein SARS-CoV-2 B1.1.529 (Omicron) variant using computational approachesMeet Parmar, Ritik Thumar, Jigar Sheth, et al.Structural Chemistry|June 1, 2022
Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein-ligand interaction studies and binding free energy calculationsJibin K Varughese, Kavitha J, Sindhu K S, et al.Structural Chemistry|June 13, 2022
Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selectionPriyanka De, Vinay Kumar, Supratik Kar, et al.Structural Chemistry|June 22, 2022
In silico study to identify novel potential thiadiazole-based molecules as anti-Covid-19 candidates by hierarchical virtual screening and molecular dynamics simulationsHuda R M Rashdan, Aboubakr H AbdelmonsefStructural Chemistry|June 27, 2022
Identification, virtual screening and molecular dynamic analysis of novel TMPRSS2 inhibitors from natural compound database as potential entry-blocking agents in SARS-CoV-2 therapySuman Manandhar, K Sreedhara Ranganath Pai, Praveen Thaggikuppe Krishnamurthy, et al.Structural Chemistry|July 5, 2022
Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamicsAhmed O Mohammed, Mazin I Abo-Idrees, Alaa A Makki, et al.Structural Chemistry|August 25, 2020
Destabilizing the structural integrity of COVID-19 by caulerpin and its derivatives along with some antiviral drugs: An in silico approaches for a combination therapyShimaa A Ahmed, Doaa A Abdelrheem, H R Abd El-Mageed, et al.Structural Chemistry|September 15, 2022
In silico studies of Mpro and PLpro from SARS-CoV-2 and a new class of cephalosporin drugs containing 1,2,4-thiadiazoleCássia Pereira Delgado, João Batista Teixeira Rocha, Laura Orian, et al.Structural Chemistry|August 30, 2022
Phytovid19: a compilation of phytochemicals research in coronavirusAnasuya Bhargav, Pratibha Chaurasia, Rohit Kumar, et al.Structural Chemistry|June 26, 2023
Molecular structures, chemical descriptors, and pancreatic lipase (1LPB) inhibition by natural products: a DFT investigation and molecular docking predictionHamza Allal, Hacene Nemdili, Mohamed Amine Zerizer, et al.Pageof 8