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Browsing by Author Jonniya, Nisha Amarnath

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Issue DateTitleAuthor(s)
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
2022Comparative Structural Dynamics of Isoforms of Helicobacter pylori Adhesin BabA Bound to Lewis b Hexasaccharide via Multiple Replica Molecular Dynamics SimulationsRoy, Rajarshi; Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal
2020A comparative study of structural and conformational properties of WNK kinase isoforms bound to an inhibitor: insights from molecular dynamic simulationsJonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal
2020Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAMSk, Md Fulbabu; Jonniya, Nisha Amarnath; Roy, Rajarshi; Poddar, Sayan; Kar, Parimal
2023Computer-aided Affinity Enhancement of a Cross-reactive Antibody against Dengue Virus Envelope Domain IIIJonniya, Nisha Amarnath; Poddar, Sayan; Mahapatra, Subhasmita; Kar, Parimal
2021-09-14Conformational dynamics of kinases implicated in hypertension and finding potent inhibitors : a molecular modeling and simulation studyKar, Parimal; Jonniya, Nisha Amarnath
2022Decoding the Host–Parasite Protein Interactions Involved in Cerebral Malaria Through Glares of Molecular Dynamics SimulationsIndari, Omkar; Sk, Md Fulbabu; Jakhmola, Shweta; Jonniya, Nisha Amarnath; Jha, Hem Chandra; Kar, Parimal
2022Discovery of potential competitive inhibitors against With-No-Lysine kinase 1 for treating hypertension by virtual screening, inverse pharmacophore-based lead optimization, and molecular dynamics simulationsJonniya, Nisha Amarnath; Sk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2022Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics StudyRoy, Rajarshi; 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
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
2023The FGF/FGFR signalling mediated anti-cancer drug resistance and therapeutic interventionMahapatra, Subhasmita; Jonniya, Nisha Amarnath; Koirala, Suman; Ursal, Kapil Dattatray; Kar, Parimal
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
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
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
2021Immunoinformatics approach to design multi-epitope-subunit vaccine against bovine ephemeral fever diseasePyasi, Shruti; Jonniya, Nisha Amarnath; Nayak, Debasis
2019Investigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics SimulationsJonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal
2020Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulationsJonniya, Nisha Amarnath; Kar, Parimal
2023Molecular dynamics simulations reveal phosphorylation-induced conformational dynamics of the fibroblast growth factor receptor 1 kinaseMahapatra, Subhasmita; Jonniya, Nisha Amarnath; Koirala, Suman; Kar, Parimal
2021Molecular Mechanism of Inhibiting WNK Binding to OSR1 by Targeting the Allosteric Pocket of the OSR1-CCT Domain with Potential Antihypertensive Inhibitors: An in Silico StudyJonniya, Nisha Amarnath; Kar, Parimal
Showing results 1 to 20 of 23  next >