1. IDR@IIT Indore

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Results 1-10 of 28 (Search time: 0.0 seconds).
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Issue DateTitleAuthor(s)
2021Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy studySk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2021Finding potential inhibitors against RNA-dependent RNA polymerase (RdRp) of bovine ephemeral fever virus (BEFV): an in-silico studyPyasi, Shruti; Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Nayak, Debasis; Kar, Parimal
2023Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutationSk, Md Fulbabu; Samanta, Sunanda; Poddar, Sayan; Kar, Parimal
2022Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approachesJain, Neha; Sk, Md Fulbabu; Kar, Parimal; Kumar, Amit
2024Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odysseySk, Md Fulbabu; Samanta, Sunanda; Poddar, Sayan; Kar, Parimal
2023Exploring molecular interactions of potential inhibitors against the spleen tyrosine kinase implicated in autoimmune disorders via virtual screening and molecular dynamics simulationsSamanta, Sunanda; Sk, Md Fulbabu; Koirala, Suman; Kar, Parimal
2021Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1Sk, Md Fulbabu; Jonniya, Nisha Amarnath; Roy, Rajarshi; Kar, Parimal
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
2021Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studiesRoy, Rajarshi; Sk, Md Fulbabu; Jonniya, Nisha Amarnath; Poddar, Sayan; Kar, Parimal
2024Dynamic Interplay of Loop Motions Governs the Molecular Level Regulatory Dynamics in Spleen Tyrosine Kinase: Insights from Molecular Dynamics SimulationsSamanta, Sunanda; Sk, Md Fulbabu; Koirala, Suman; Kar, Parimal

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