1. IDR@IIT Indore

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Issue DateTitleAuthor(s)
2021Identification of Potential Inhibitors against Epstein-Barr Virus Nuclear Antigen 1 (EBNA1): An Insight from Docking and Molecular Dynamic SimulationsJakhmola, Shweta; Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Rani, Annu; Kar, Parimal; Jha, Hem Chandra
2021Characterizing an allosteric inhibitor-induced inactive state in with-no-lysine kinase 1 using Gaussian accelerated molecular dynamics simulationsJonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal
2021Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulationsSk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2021Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysisSingh, Satyam; Sk, Md Fulbabu; Sonavane, Avinash; Kar, Parimal
2020Exploring the energetic basis of binding of currently used drugs against HIV-1 subtype CRF01_AE protease via molecular dynamics simulationsSk, Md Fulbabu; Jonniya, Nisha Amarnath; Kar, Parimal
2021Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculationsSk, Md Fulbabu; Roy, Rajarshi; Jonniya, Nisha Amarnath; Poddar, Sayan; Kar, Parimal
2021Elucidating specificity of an allosteric inhibitor WNK476 among With-No-Lysine kinase isoforms using molecular dynamic simulationsAmarnath Jonniya, Nisha; Sk, Md Fulbabu; Kar, Parimal

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