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John Marshal Jayaraj, Everlyne Reteti, Chandrasekhar Kesavan & Karthikeyan Muthusamy. (2021) Structural insights on vitamin D receptor and screening of new potent agonist molecules: structure and ligand-based approach. Journal of Biomolecular Structure and Dynamics 39:11, pages 4148-4159.
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Milad Lagzian, Ali Qasemi, Pegah Kaviani & Malihe Mohammadi. (2019) Identification of new promising plant-based lead compounds for inhibition of prokaryotic replicative DNA polymerases: combination of in silico and in vitro studies. Journal of Biomolecular Structure and Dynamics 37:16, pages 4222-4237.
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John Marshal Jayaraj, Gopinath Krishnasamy, Jung-Kul Lee & Karthikeyan Muthusamy. (2019)
In silico identification and screening of CYP24A1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis. Journal of Biomolecular Structure and Dynamics 37:7, pages 1700-1714.
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Aman Chandra Kaushik & Shakti Sahi. (2018) Insights into unbound–bound states of GPR142 receptor in a membrane-aqueous system using molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 36:7, pages 1788-1805.
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Smrita Singh & Aparajita Mohanty. (2018)
In silico identification of potential drug compound against Peroxisome proliferator-activated receptor-gamma by virtual screening and toxicity studies for the treatment of Diabetic Nephropathy. Journal of Biomolecular Structure and Dynamics 36:7, pages 1776-1787.
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Manoj Kumar Mahapatra, Krishnendu Bera, Durg Vijay Singh, Rajnish Kumar & Manoj Kumar. (2018) In silico modelling and molecular dynamics simulation studies of thiazolidine based PTP1B inhibitors. Journal of Biomolecular Structure and Dynamics 36:5, pages 1195-1211.
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Manikandan Selvaraj, Lakshmanan Loganathan, Praveen kumar Thirumalaisamy, Beena Briget Kuriakose, Eva Lobelle Sampayan & Karthikeyan Muthusamy. (2021) In silico drug designing for the identification of promising antagonist hit molecules against bradykinin receptor. Computational and Theoretical Chemistry 1202, pages 113334.
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Salehi, Ata, V. Anil Kumar, Sharopov, Ramírez-Alarcón, Ruiz-Ortega, Abdulmajid Ayatollahi, Tsouh Fokou, Kobarfard, Amiruddin Zakaria, Iriti, Taheri, Martorell, Sureda, Setzer, Durazzo, Lucarini, Santini, Capasso, Ostrander, Atta-ur-Rahman, Choudhary, Cho & Sharifi-Rad. (2019) Antidiabetic Potential of Medicinal Plants and Their Active Components. Biomolecules 9:10, pages 551.
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Hongbin Huang, Guigui Zhang, Yuquan Zhou, Chenru Lin, Suling Chen, Yutong Lin, Shangkang Mai & Zunnan Huang. (2018) Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds. Frontiers in Chemistry 6.
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