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Protein Ligand Interaction Fingerprints

Protein Ligand Interaction Fingerprints

Ali HajiEbrahimi, Hamidreza Ghafouri, Mohsen Ranjbar, Amirhossein Sakhteman
Copyright: © 2016 |Pages: 20
ISBN13: 9781522501152|ISBN10: 1522501150|EISBN13: 9781522501169
DOI: 10.4018/978-1-5225-0115-2.ch005
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MLA

HajiEbrahimi, Ali, et al. "Protein Ligand Interaction Fingerprints." Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, edited by Siavoush Dastmalchi, et al., IGI Global, 2016, pp. 128-147. https://doi.org/10.4018/978-1-5225-0115-2.ch005

APA

HajiEbrahimi, A., Ghafouri, H., Ranjbar, M., & Sakhteman, A. (2016). Protein Ligand Interaction Fingerprints. In S. Dastmalchi, M. Hamzeh-Mivehroud, & B. Sokouti (Eds.), Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery (pp. 128-147). IGI Global. https://doi.org/10.4018/978-1-5225-0115-2.ch005

Chicago

HajiEbrahimi, Ali, et al. "Protein Ligand Interaction Fingerprints." In Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery, edited by Siavoush Dastmalchi, Maryam Hamzeh-Mivehroud, and Babak Sokouti, 128-147. Hershey, PA: IGI Global, 2016. https://doi.org/10.4018/978-1-5225-0115-2.ch005

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Abstract

A most challenging part in docking-based virtual screening is the scoring functions implemented in various docking programs in order to evaluate different poses of the ligands inside the binding cavity of the receptor. Precise and trustable measurement of ligand-protein affinity for Structure-Based Virtual Screening (SB-VS) is therefore, an outstanding problem in docking studies. Empirical post-docking filters can be helpful as a way to provide various types of structure-activity information. Different types of interaction have been presented between the ligands and the receptor so far. Based on the diversity and importance of PLIF methods, this chapter will focus on the comparison of different protocols. The advantages and disadvantages of all methods will be discussed explicitly in this chapter as well as future sights for further progress in this field. Different classifications approaches for the protein-ligand interaction fingerprints were also discussed in this chapter.

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