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Different Types of Molecular Docking Based on Variations of Interacting Molecules: Variations of Molecular Docking

Different Types of Molecular Docking Based on Variations of Interacting Molecules: Variations of Molecular Docking

Amit Das, Simanti Bhattacharya
Copyright: © 2016 |Pages: 25
ISBN13: 9781522501152|ISBN10: 1522501150|EISBN13: 9781522501169
DOI: 10.4018/978-1-5225-0115-2.ch006
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MLA

Das, Amit, and Simanti Bhattacharya. "Different Types of Molecular Docking Based on Variations of Interacting Molecules: Variations of Molecular Docking." Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, edited by Siavoush Dastmalchi, et al., IGI Global, 2016, pp. 148-172. https://doi.org/10.4018/978-1-5225-0115-2.ch006

APA

Das, A. & Bhattacharya, S. (2016). Different Types of Molecular Docking Based on Variations of Interacting Molecules: Variations of Molecular Docking. In S. Dastmalchi, M. Hamzeh-Mivehroud, & B. Sokouti (Eds.), Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery (pp. 148-172). IGI Global. https://doi.org/10.4018/978-1-5225-0115-2.ch006

Chicago

Das, Amit, and Simanti Bhattacharya. "Different Types of Molecular Docking Based on Variations of Interacting Molecules: Variations of Molecular Docking." In Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, edited by Siavoush Dastmalchi, Maryam Hamzeh-Mivehroud, and Babak Sokouti, 148-172. Hershey, PA: IGI Global, 2016. https://doi.org/10.4018/978-1-5225-0115-2.ch006

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Abstract

Molecular docking plays an important role in drug discovery research by facilitating target identification, target validation, virtual screening for lead identification and lead optimization. Depending upon the nature of the disease of interest, targets can be either protein or DNA while drugs are mostly organic small molecules. Different types of molecular docking techniques like protein-protein or protein-DNA or protein-small molecule or DNA-small molecule are employed for achieving the above mentioned objectives. This chapter provides a clear idea of the position of molecular docking in drug discovery with detailed discussion on different types of molecular docking based on the varieties of interacting partners. Subsequently the authors provide a detailed list of tools that can be used for docking in drug discovery and discus some examples of molecular docking in drug discovery before concluding with a remark on future areas of improvement in molecular docking related to drug discovery.

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