Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19
Joshi, Tanuja, Sharma, Priyanka, Joshi, Tushar, Pundir, Hemlata, Mathpal, Shalini, Chandra, Subhash
Published in Molecular diversity (01.08.2021)
Published in Molecular diversity (01.08.2021)
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Journal Article
Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease
Joshi, Tanuja, Joshi, Tushar, Pundir, Hemlata, Sharma, Priyanka, Mathpal, Shalini, Chandra, Subhash
Published in Journal of biomolecular structure & dynamics (22.11.2021)
Published in Journal of biomolecular structure & dynamics (22.11.2021)
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Journal Article
Evaluation of the inhibitory potential of Valproic acid against histone deacetylase of Leishmania donovani and computational studies of Valproic acid derivatives
Prasanna, Pragya, Joshi, Tanuja, Pant, Manish, Pundir, Hemlata, Chandra, Subhash
Published in Journal of biomolecular structure & dynamics (13.08.2023)
Published in Journal of biomolecular structure & dynamics (13.08.2023)
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Journal Article
Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods
Sharma, Priyanka, Joshi, Tushar, Mathpal, Shalini, Joshi, Tanuja, Pundir, Hemlata, Chandra, Subhash, Tamta, Sushma
Published in Journal of biomolecular structure & dynamics (13.04.2022)
Published in Journal of biomolecular structure & dynamics (13.04.2022)
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Journal Article
A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor
Mathpal, Shalini, Joshi, Tushar, Sharma, Priyanka, Joshi, Tanuja, Pundir, Hemlata, Pande, Veena, Chandra, Subhash
Published in Journal of biomolecular structure & dynamics (02.02.2022)
Published in Journal of biomolecular structure & dynamics (02.02.2022)
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Journal Article
Identification of essential oil phytocompounds as natural inhibitors of Odorant-binding protein to prevent malaria through in silico approach
Pundir, Hemlata, Pant, Manish, Joshi, Tanuja, Bhat, Sunaullah, Pathak, Ramanand, Bajpai, Atal Bihari, Chandra, Subhash, Tamta, Sushma
Published in Journal of biomolecular structure & dynamics (22.11.2023)
Published in Journal of biomolecular structure & dynamics (22.11.2023)
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Journal Article
Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches
Pundir, Hemlata, Joshi, Tanuja, Pant, Manish, Bhat, Sunaullah, Pandey, Jyoti, Chandra, Subhash, Tamta, Sushma
Published in Journal of biomolecular structure & dynamics (01.01.2022)
Published in Journal of biomolecular structure & dynamics (01.01.2022)
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Journal Article
Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease
Joshi, Tanuja, Joshi, Tushar, Pundir, Hemlata, Sharma, Priyanka, Mathpal, Shalini, Chandra, Subhash
Published in Journal of Biomolecular Structure and Dynamics (05.08.2020)
Get full text
Published in Journal of Biomolecular Structure and Dynamics (05.08.2020)
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