1. IDR@IIT Indore

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Results 1-10 of 23 (Search time: 0.001 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
2023Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr virusKashyap, Dharmendra; Roy, Rajarshi; Varshney, Nidhi; Baral, Budhadev; Bagde, Pranit Hemant; Kandpal, Meenakshi; Kar, Parimal; Jha, Hem Chandra
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
2022Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics StudyRoy, Rajarshi; Jonniya, Nisha Amarnath; 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
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
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
2022Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an in-silico studyKashyap, Dharmendra; Roy, Rajarshi; Kar, Parimal; Jha, Hem Chandra
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
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

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