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Browsing by Author Poddar, Sayan

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Showing results 1 to 16 of 16
Issue DateTitleAuthor(s)
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
2024The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N-glycosylation unraveled by molecular dynamics simulationsPoddar, Sayan; Roy, Rajarshi; Kar, Parimal
2022Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic simulationsRoy, Rajarshi; Poddar, Sayan; Sk, Md Fulbabu; Kar, Parimal
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
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
2024-10-03Elucidating conformational dynamics of glycans and their interactions with proteins: a multiscale simulation studyKar, Parimal; Poddar, Sayan
2023Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lensPoddar, Sayan; Roy, Rajarshi; 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
2020Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulationsRoy, Rajarshi; Mishra, Anurag R.; Poddar, Sayan; 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
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
2024Protein S-palmitoylation is markedly inhibited by 4″-alkyl ether lipophilic derivatives of EGCG, the major green tea polyphenol: In vitro and in silico studiesPoddar, Sayan; Kar, Parimal
2023Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNAArgPoddar, Sayan; Kar, Parimal
2025Targeting human arginyltransferase and post-translational protein arginylation: a pharmacophore-based multilayer screening and molecular dynamics approach to discover novel inhibitors with therapeutic promisePoddar, Sayan; Kar, Parimal
2021Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation StudyRoy, Rajarshi; Jonniya, Nisha Amarnath; Poddar, Sayan; Sk, Md Fulbabu; Kar, Parimal
Showing results 1 to 16 of 16