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Smart, Innovative and Intelligent Technologies Used in Drug Designing
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Author(s): S. Deshpande (Data Consulting, New Delhi, India), S. K. Basu (University of Lethbridge, Canada), X. Li (Industrial Crop Research Institute, Yunan Academy of Agricultural Sciences, China)and X. Chen (Institute of Food Crops, Yunan Academy of Agricultural Sciences, China)
Copyright: 2014
Pages: 17
Source title:
Smart Manufacturing Innovation and Transformation: Interconnection and Intelligence
Source Author(s)/Editor(s): ZongWei Luo (The University of Hong Kong, China)
DOI: 10.4018/978-1-4666-5836-3.ch011
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Abstract
Smart and intelligent computational methods are essential nowadays for designing, manufacturing and optimizing new drugs. New and innovative computational tools and algorithms are consistently developed and applied for the development of novel therapeutic compounds in many research projects. Rapid developments in the architecture of computers have also provided complex calculations to be performed in a smart, intelligent and timely manner for desired quality outputs. Research groups worldwide are developing drug discovery platforms and innovative tools following smart manufacturing ideas using highly advanced biophysical, statistical and mathematical methods for accelerated discovery and analysis of smaller molecules. This chapter discusses novel innovative applications in drug discovery involving use of structure-based drug design which utilizes geometrical knowledge of the three-dimensional protein structures. It discusses statistical and physics based methods such as quantum mechanics and classical molecular dynamics which can also play a major role in improving the performance and in prediction of computational drug discovery. Lastly, the authors provide insights on recent developments in cloud computing with significant increase in smart and intelligent computational power thus allowing larger data sets to be analyzed simultaneously on multi processor cloud systems. Future directions for the research are outlined.
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