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Molecular Modeling Techniques and In-Silico Drug Discovery

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Reverse Engineering of Regulatory Networks

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2719))

Abstract

Molecular modeling is the technique to determine the overall structure of an unknown molecule, be it a small one or a macromolecule. The technique encompasses the method of screening ligand libraries for the development of new candidate drug molecules. All these aspects have become an essential topic of research. This field is truly interdisciplinary and finds its applications in almost all fields of life science research. In this chapter, an overview of the protocol associated with molecular modeling techniques will be discussed.

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Acknowledgments

The author would like to thank DBT-funded BIF center (Sanction no.: BT/PR40162/BTIS/137/48/2022) for the infrastructural support. Support from UGC-SAP-DRS-II, DST-PURSE2, and the University of Kalyani are duly acknowledged.

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Authors and Affiliations

  1. Department of Biochemistry and Biophysics, University of Kalyani, Kalyani, West Bengal, India

    Angshuman Bagchi

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  1. Angshuman Bagchi
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Correspondence to Angshuman Bagchi .

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Editors and Affiliations

  1. Department of Electronics and Communication Engineering, Jalpaiguri Govt. Engineering College, Jalpaiguri, West Bengal, India

    Sudip Mandal

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© 2024 The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature

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Bagchi, A. (2024). Molecular Modeling Techniques and In-Silico Drug Discovery. In: Mandal, S. (eds) Reverse Engineering of Regulatory Networks. Methods in Molecular Biology, vol 2719. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3461-5_1

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  • DOI: https://doi.org/10.1007/978-1-0716-3461-5_1

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-3460-8

  • Online ISBN: 978-1-0716-3461-5

  • eBook Packages: Springer Protocols

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