Welcome to the InfoSci Platform
Reference Hub1
Docking Methodologies and Recent Advances

Docking Methodologies and Recent Advances

Ashwani Kumar, Ruchika Goyal, Sandeep Jain
Copyright: © 2017 |Pages: 25
ISBN13: 9781522505495|ISBN10: 1522505490|EISBN13: 9781522506386
DOI: 10.4018/978-1-5225-0549-5.ch031
Cite Chapter Cite Chapter

MLA

Kumar, Ashwani, et al. "Docking Methodologies and Recent Advances." Oncology: Breakthroughs in Research and Practice, edited by Information Resources Management Association, IGI Global, 2017, pp. 804-828. https://doi.org/10.4018/978-1-5225-0549-5.ch031

APA

Kumar, A., Goyal, R., & Jain, S. (2017). Docking Methodologies and Recent Advances. In I. Management Association (Ed.), Oncology: Breakthroughs in Research and Practice (pp. 804-828). IGI Global. https://doi.org/10.4018/978-1-5225-0549-5.ch031

Chicago

Kumar, Ashwani, Ruchika Goyal, and Sandeep Jain. "Docking Methodologies and Recent Advances." In Oncology: Breakthroughs in Research and Practice, edited by Information Resources Management Association, 804-828. Hershey, PA: IGI Global, 2017. https://doi.org/10.4018/978-1-5225-0549-5.ch031

Export Reference

Mendeley
Favorite

Abstract

Docking, a molecular modelling method, has wide applications in identification and optimization in modern drug discovery. This chapter addresses the recent advances in the docking methodologies like fragment docking, covalent docking, inverse docking, post processing, hybrid techniques, homology modeling etc. and its protocol like searching and scoring functions. Advances in scoring functions for e.g. consensus scoring, quantum mechanics methods, clustering and entropy based methods, fingerprinting, etc. are used to overcome the limitations of the commonly used force-field, empirical and knowledge based scoring functions. It will cover crucial necessities and different algorithms of docking and scoring. Further different aspects like protein flexibility, ligand sampling and flexibility, and the performance of scoring function will be discussed.

Request Access

You do not own this content. Please login to recommend this title to your institution's librarian or purchase it from the IGI Global bookstore.