Title: Clustering analysis on molecular docking with swarm intelligence

Authors: E. Kiruba Nesa Malar; C.P. Chandran

Addresses: Category B – Research and Development Center, Bharathiar University, Coimbatore, India ' Department of Computer Science, ANJA College, Sivakasi, India

Abstract: In this work, clustering analysis on molecular docking using swarm intelligence is carried out with molecular docking assessment of DNA-ligand interaction using cancer dataset. In this work, we have used docking to perform DNA-ligand interaction. Fuzzy C-means clustering (FCM) is a method of clustering which allows one piece of data to belong to two or more clusters. Glowworm swarm optimisation (GSO) is a current nature-stimulated optimisation algorithm that simulates the conduct of the lighting fixtures worms. Datasets are taken from PDB and drug bank and tested on DNA-ligand interaction with a cancer dataset. The performance of this work is tested on ten docking instances from the PDB bind core set and compared to the performance of three algorithms. The results show that the combined work could find ligand poses with best energy levels.

Keywords: data mining; FCM; clustering; molecular docking; swarm intelligence.

DOI: 10.1504/IJAIP.2021.117616

International Journal of Advanced Intelligence Paradigms, 2021 Vol.20 No.1/2, pp.138 - 157

Received: 13 Aug 2018
Accepted: 19 Mar 2019

Published online: 16 Sep 2021 *

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