A STATISTICAL ANALYSIS TO FIND OUT AN APPROPRIATE DOCKING METHOD


Jun Moni Kalita, Surajit K Ghosh, Supriya Sahu, Mayurakhi Dutta

Abstract


Objective: The objective of the study was to determine a suitable and reliable docking protocol based on a statistical study.
Methods: Statistical analysis was done to find out the co-relation between in-silico and in-vitro results.
Results: All the docking method shown acceptable root mean square deviation (RMSD) value those were found to be less than that of 2 Å. Coefficient
of co-relation value was also quite satisfactory with highest of r = 0.6574 and rs=0.8322 for LigandFit.
Conclusion: Among the three docking method used for the study, LigandFit was found to be more appropriate as it shown low RMSD and high
co‑relation coefficient.

Keywords: Dihydrofolate reductase, 1J3I, LigandFit, CDOCKER, Gold, Karl Pearson’s coefficient of correlation, Spearman’s rank correlation (rs).


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About this article

Title

A STATISTICAL ANALYSIS TO FIND OUT AN APPROPRIATE DOCKING METHOD

Date

01-01-2015

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Vol 8 Issue 1 (January-February) 2015 Page: 158-160

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

156 Views | 481 Downloads

Authors & Affiliations

Jun Moni Kalita
Department of pharmaceutical Sciences, Dibrugarh University.
India

Surajit K Ghosh

Supriya Sahu

Mayurakhi Dutta


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