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Original Articles

3D-QSAR studies and shape based virtual screening for identification of novel hits to inhibit MbtA in Mycobacterium tuberculosis

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Pages 344-364 | Received 22 May 2013, Accepted 02 Dec 2013, Published online: 13 Jan 2014

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David A. Winkler. (2022) The impact of machine learning on future tuberculosis drug discovery. Expert Opinion on Drug Discovery 17:9, pages 925-927.
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Vivek Kumar, Sarbjit Singh Jhamb & M. Elizabeth Sobhia. (2018) Cell wall permeability assisted virtual screening to identify potential direct InhA inhibitors of Mycobacterium tuberculosis and their biological evaluation. Journal of Biomolecular Structure and Dynamics 36:12, pages 3274-3290.
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Indrani Bera, Mrinal Vishwas Marathe, Pavan V. Payghan & Nanda Ghoshal. (2018) Identification of novel hits as highly prospective dual agonists for mu and kappa opioid receptors: an integrated in silico approach. Journal of Biomolecular Structure and Dynamics 36:2, pages 279-301.
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Rajender Kumar, Prabha Garg & P.V. Bharatam. (2015) Shape-based virtual screening, docking, and molecular dynamics simulations to identify Mtb-ASADH inhibitors. Journal of Biomolecular Structure and Dynamics 33:5, pages 1082-1093.
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Articles from other publishers (6)

Beatriz Suay‐Garcia, Jose Ignacio Bueso‐Bordils, Antonio Falcó, María Teresa Pérez‐Gracia, Gerardo Antón‐Fos & Pedro Alemán‐López. (2020) Quantitative structure–activity relationship methods in the discovery and development of antibacterials. WIREs Computational Molecular Science 10:6.
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Jian-Ping Hu, Zhi-Xiang Wu, Tao Xie, Xin-Yu Liu, Xiao Yan, Xin Sun, Wei Liu, Li Liang, Gang He, Ya Gan, Xiao-Jun Gou, Zheng Shi, Qiang Zou, Hua Wan, Hu-Bing Shi & Shan Chang. (2019) Applications of Molecular Simulation in the Discovery of Antituberculosis Drugs: A Review. Protein & Peptide Letters 26:9, pages 648-663.
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Sy-Bing Choi, Beow Keat Yap, Yee Siew Choong & Habibah Wahab. 2019. Encyclopedia of Bioinformatics and Computational Biology. Encyclopedia of Bioinformatics and Computational Biology 652 665 .
Nikhil Bachappanavar & Sinosh Skariyachan. 2019. Essentials of Bioinformatics, Volume II. Essentials of Bioinformatics, Volume II 233 281 .
Peter M. Njogu, Eric M. Guantai, Elumalai Pavadai & Kelly Chibale. (2015) Computer-Aided Drug Discovery Approaches against the Tropical Infectious Diseases Malaria, Tuberculosis, Trypanosomiasis, and Leishmaniasis. ACS Infectious Diseases 2:1, pages 8-31.
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Subodh Kumar Mishra & Amit Kumar. (2016) NALDB: nucleic acid ligand database for small molecules targeting nucleic acid. Database 2016, pages baw002.
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