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Title |
A tool for the post data analysis of screened compounds derived from computer-aided docking scores
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Authors |
Gali Nageswara Rao1, Allam Appa Rao2, Peri Srinivasa Rao1 & Naresh Babu Muppalaneni2*
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Affiliation |
1Department of CS & SE, Andhra University College of Engineering; 2C R Rao Advanced Institute of Mathematics, Statistics & Computer Science, Prof. C R Rao Road, Gachibowli, Hyderabad-500046, INDIA. |
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nareshmuppalaneni@gmail.com; *Corresponding author |
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Article Type |
Software |
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Date |
Received December 17, 2012; Revised December 28, 2012; Accepted January 03, 2013; Published February 21, 2013
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Abstract |
A method is described for the analysis of the results obtained from the docking studies applied on a protein target and small molecules chemical compounds as ligands from various sources using different docking tools. We show the use of Dempster Shafer Theory (DST) to select the high ranking top compounds for further analysis and consideration. |
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Availability |
Application is freely available at http://allamapparao.org/dst/
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Keywords |
Docking, Dempster shafer theory, Theory of evidence, Virtual screening.
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Citation |
Rao et al.
Bioinformation 9(4): 207-209 (2013) |
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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License |
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |