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Free Energy-Based Methods to Understand Drug Resistance Mutations Read chapter Read first chapter

2019 | OriginalPaper | Chapter

Turbo Analytics: Applications of Big Data and HPC in Drug Discovery

Authors : Rajendra R. Joshi, Uddhavesh Sonavane, Vinod Jani, Amit Saxena, Shruti Koulgi, Mallikarjunachari Uppuladinne, Neeru Sharma, Sandeep Malviya, E. P. Ramakrishnan, Vivek Gavane, Avinash Bayaskar, Rashmi Mahajan, Sudhir Pandey

Published in: Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Publisher: Springer International Publishing

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Abstract

In this current age of data-driven science, perceptive research is being carried out in the areas of genomics, network and metabolic biology, human, animal, organ and tissue models of drug toxicity, witnessing or capturing key biological events or interactions for drug discovery. Drug designing and repurposing involves understanding of ligand orientations for proper binding to the target molecules. The crucial requirement of finding right pose of small molecule in ligand–protein complex is done using drug docking and simulation methods. The domains of biology like genomics, biomolecular structure dynamics, and drug discovery are capable of generating vast molecular data in range of terabytes to petabytes. The analysis and visualization of this data pose a great challenge to the researchers and needs to be addressed in an accelerated and efficient way. So there is continuous need to have advanced analytics platform and algorithms which can perform analysis of this data in a faster way. Big data technologies may help to provide solutions for these problems of molecular docking and simulations.

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previous chapter Impact of Target-Based Drug Design in Anti-bacterial Drug Discovery for the Treatment of Tuberculosis
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Metadata
Title
Turbo Analytics: Applications of Big Data and HPC in Drug Discovery
Authors
Rajendra R. Joshi
Uddhavesh Sonavane
Vinod Jani
Amit Saxena
Shruti Koulgi
Mallikarjunachari Uppuladinne
Neeru Sharma
Sandeep Malviya
E. P. Ramakrishnan
Vivek Gavane
Avinash Bayaskar
Rashmi Mahajan
Sudhir Pandey
Copyright Year
2019
Book
Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Print ISBN: 978-3-030-05281-2

Electronic ISBN: 978-3-030-05282-9

Copyright Year: 2019

DOI
https://doi.org/10.1007/978-3-030-05282-9_11

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