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Browsing by Author Samanta, Sunanda

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Issue DateTitleAuthor(s)
2023Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against Helicobacter pyloriKashyap, Dharmendra; Koirala, Suman; Saini, Vaishali; Varshney, Nidhi; Bagde, Pranit Hemant; Samanta, Sunanda; Kar, Parimal; Jha, Hem Chandra
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
2023Development of chalcone-like derivatives and their biological and mechanistic investigations as novel influenza nuclear export inhibitorsSamanta, Sunanda; 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
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
2022-05-30Investigating molecular recognition of small molecules by spleen tyrosine kinase (Syk) implicated in autoimmune disorders via multiscale simulationsKar, Parimal; Samanta, Sunanda
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
2023Molecular level investigation for identifying potential inhibitors against thymidylate kinase of monkeypox through in silico approachesKoirala, Suman; Samanta, Sunanda; Mahapatra, Subhasmita; Ursal, Kapil Dattatray; Poddar, Sayan; Kar, Parimal
2023Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an in-silico studyKoirala, Suman; Samanta, Sunanda; Mahapatra, Subhasmita; Kar, Parimal
2023Prediction of Rab5B inhibitors through integrative in silico techniquesKashyap, Dharmendra; Koirala, Suman; Saini, Vaishali; Bagde, Pranit Hemant; Samanta, Sunanda; Kar, Parimal; Jha, Hem Chandra
Showing results 1 to 10 of 10