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Journal of Receptors and Signal Transduction Volume 38, 2018 - Issue 3
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Research Article

Atom-based 3D-QSAR, induced fit docking, and molecular dynamics simulations study of thieno[2,3-b]pyridines negative allosteric modulators of mGluR5

Sitrarasu Vijaya PrabhuDepartment of Bioinformatics, Computer Aided Drug Design and Molecular Modeling Lab, Alagappa University, Karaikudi, IndiaView further author information
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Sanjeev Kumar SinghDepartment of Bioinformatics, Computer Aided Drug Design and Molecular Modeling Lab, Alagappa University, Karaikudi, IndiaCorrespondence[email protected]
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Pages 225-239 | Received 10 Mar 2018, Accepted 25 Apr 2018, Published online: 28 May 2018

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Mohammad Aqueel Khan & Sanjeev Kumar Singh. (2023) Atom-based 3D-QSAR and DFT analysis of 5‐substituted 2‐acylaminothiazole derivatives as HIV-1 latency-reversing agents. Journal of Biomolecular Structure and Dynamics 41:14, pages 6759-6774.
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Sunil Kumar, Jayalakshmi Jayan, Amritha Manoharan, Feba Benny, Mohamed A. Abdelgawad, Mohammed M. Ghoneim, Mohamed El-Sherbiny, Sachithra Thazhathuveedu Sudevan, T. P. Aneesh & Bijo Mathew. (2023) Discerning of isatin-based monoamine oxidase (MAO) inhibitors for neurodegenerative disorders by exploiting 2D, 3D-QSAR modelling and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Muthumanickam Sankar, Langeswaran K, Sangavi Jeyachandran & Boomi Pandi. (2021) Screening of inhibitors as potential remedial against Ebolavirus infection: pharmacophore-based approach. Journal of Biomolecular Structure and Dynamics 39:2, pages 395-408.
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Articles from other publishers (5)

Sunil Kumar, Amritha Manoharan, Jayalakshmi J, Mohamed A. Abdelgawad, Wael A. Mahdi, Sultan Alshehri, Mohammed M. Ghoneim, Leena K. Pappachen, Subin Mary Zachariah, T. P. Aneesh & Bijo Mathew. (2023) Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation. RSC Advances 13:14, pages 9513-9529.
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Suganya Ramakrishnamurthy, Ganesan Singaravelu, Velmurugan Devadasan & Aruna Prakasarao. (2021) In vitro and In silico Analysis of the Anti-diabetic and Anti-microbial Activity of Cichorium intybus Leaf extracts. Current Computer-Aided Drug Design 17:2, pages 173-186.
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Vivek Srivastava, Chandrabose Selvaraj & Sanjeev Kumar Singh. 2021. Advances in Bioinformatics. Advances in Bioinformatics 183 212 .
Murali Aarthy, Umesh Panwar & Sanjeev Kumar Singh. (2020) Structural dynamic studies on identification of EGCG analogues for the inhibition of Human Papillomavirus E7. Scientific Reports 10:1.
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Claudia Llinas del Torrent, Laura Pérez-Benito & Gary Tresadern. (2019) Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors. Molecules 24:6, pages 1098.
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