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Pretisha Flora Cutinho, Jaydeep Roy, Avinash Anand, Ravishankar Cheluvaraj, Manikanta Murahari & H. S. Venkataramana Chimatapu. (2020) Design of metronidazole derivatives and flavonoids as potential non-nucleoside reverse transcriptase inhibitors using combined ligand- and structure-based approaches. Journal of Biomolecular Structure and Dynamics 38:6, pages 1626-1648.
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Valentin Le Douce, Amina Ait-Amar, Faezeh Forouzan far, Faiza Fahmi, Jose Quiel, Hala El Mekdad, Fadoua Daouad, Céline Marban, Olivier Rohr & Christian Schwartz. (2016) Improving combination antiretroviral therapy by targeting HIV-1 gene transcription. Expert Opinion on Therapeutic Targets 20:11, pages 1311-1324.
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Sivakumar Prasanth Kumar, Rakesh M. Rawal, Himanshu A. Pandya & Yogesh T. Jasrai. (2016) Qualitative and quantitative pharmacophore-similarity assessment of anthranilamide-based factor Xa inhibitors: applications on similar molecules with identical biological endpoints. Journal of Receptors and Signal Transduction 36:2, pages 189-206.
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Sivakumar Prasanth Kumar, Prakash C. Jha, Yogesh T. Jasrai & Himanshu A. Pandya. (2016) The effect of various atomic partial charge schemes to elucidate consensus activity-correlating molecular regions: a test case of diverse QSAR models. Journal of Biomolecular Structure and Dynamics 34:3, pages 540-559.
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S.P. Kumar, L.B. George, Y.T. Jasrai & H.A. Pandya. (2015) Prioritization of active antimalarials using structural interaction profile of Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR)-triclosan derivatives. SAR and QSAR in Environmental Research 26:1, pages 61-77.
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Articles from other publishers (5)
Sivakumar Prasanth Kumar. (2018) Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes. Journal of Molecular Modeling 24:10.
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Sivakumar Prasanth Kumar, Chirag N. Patel, Prakash C. Jha & Himanshu A. Pandya. (2017) Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding. Computational Biology and Chemistry 71, pages 117-128.
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Ma’mon M. Hatmal, Shadi Jaber & Mutasem O. Taha. (2016) Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point kinase 1 as case studies. Journal of Computer-Aided Molecular Design 30:12, pages 1149-1163.
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Sivakumar Prasanth Kumar & Prakash Chandra Jha. (2016) Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening. Chemico-Biological Interactions 254, pages 207-220.
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Md Ataul Islam & Tahir S. Pillay. (2016) Structural requirements for potential HIV-integrase inhibitors identified using pharmacophore-based virtual screening and molecular dynamics studies. Molecular BioSystems 12:3, pages 982-993.
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