Arul Murugan Natarajan
Indraprastha Institute of Information Technology Delhi, KTH Royal Institute of Technology, Indian Institute of Science Bangalore, GRI-Deemed University
0000-0003-2680-9089
About
Dr. Docent N. Arul Murugan is currently an associate professor in the Department of Computational Biology at Indraprastha Institute of Information Technology (IIITD), New Delhi. He received his Ph.D. in 2005 from SSCU, IISc, Bangalore, for his thesis work in computational materials science. Before being appointed as a senior researcher in 2011 at KTH Royal Institute of Technology, Sweden, he had a few postdoctoral visits to various academic universities in Europe, namely ULB (Brussels), KTH (Stockholm), and UPC (Barcelona), and his visits were generously supported by FNRS, Wenner-Gren and JDLC fellowships. He was appointed as a senior researcher at KTH Royal Institute of Technology in 2011, and he became a docent (associate professor) in theoretical chemistry and biology in 2015. He joined IIITD in 2021. He has published about 151 articles in international peer-reviewed journals along with 5 book chapters. His current research focuses on developing diagnostics and therapeutics for selected neurodegenerative diseases and infectious diseases using computational approaches. He uses a wide range of techniques for his research, namely molecular docking, molecular dynamics, free energy calculations, electronic structure calculations, ab initio molecular dynamics, hybrid QM/MM molecular dynamics, and hybrid QM/MM response calculations. He also works on developing QM- and AI-based methods for reliable prediction of drug-like properties, such as binding affinity, binding specificity, permeability, BBB permeability, solubility, and bioavailability. He is also interested in developing parallel algorithms for high-performance computing in life-science projects. Currently, he teaches algorithms in computational biology and chemoinformatics courses at IIITD.
Employment
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Indraprastha Institute of Information Technology Delhi Associate professor2021 - Present
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KTH Royal Institute of Technology Researcher/Docent2015 - 2021
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KTH Royal Institute of Technology Forskare (Senior Researcher)2011 - 2015
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KTH Royal Institute of Technology Postdoctoral fellow2009 - 2011
Education
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Indian Institute of Science Bangalore Ph.d1998 - 2006
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GRI-Deemed University M. Sc1996 - 1998
Projects & Funding
Projects & funding information is unavailable.
Publications (149)
- LigGen—a GEN-AI based ligand generation approach for de-novo drug design Save
- Inhibition of Phytophthora infestans chitin synthase via cyclic peptide targeting for sustainable disease control Save
- In silico screening of UM-C162 and UM-4E as potential inhibitors of Staphylococcus aureus virulence factors Save
- Consensus scoring-guided virtual screening identifies potent anti-saprolegniasis compounds targeting a P450 fusion protein Save
- Active Learning in Drug Discovery: Revolutionizing Chemical Space Exploration Save
- Artificial Intelligence and Machine Learning-Based Approaches for Genetic Damage Prediction Save
- Deep learning reveals endogenous sterols as allosteric modulators of the GPCR–Gα interface Save
- Synergistic Mn‐Cr Co‐doping in Na 3 V 2 (PO 4 ) 2 O 2 … Save
- Insights into the conformational, secondary structural, dynamical and hydration pattern changes of glucose mediated glycated HSA: a molecular dynamics approach Save
- Assessing the accuracy of binding pose prediction for kinase proteins and 7-azaindole inhibitors: a study with AutoDock4, Vina, DOCK 6, and GNINA 1.0 Save