Dr Aravindhan Ganesan

Visiting Fellow
B 3.111, D1
 +61 2 6125 3508





Aravindhan Ganesan is a Visiting Fellow in the Computer Aided Chemical Design Research Group. He holds a Masters in Bioinformatics (2007) from India and a PhD in computational/theoretical chemistry (2013) from Swinburne University. 


Research interests

His research interests combine the applications of quantum mechanics and molecular mechanics based approaches, with structural bioinformatics, for understanding the structure-properties of biomolecules and enzymes towards novel lead design and discovery. His current work in the research group focuses on studying the reaction mechanisms of selected artificial catalysts and spectroscopic properties of switchable radicals, in collaboration with 'state-of-the-art' experiments.


  • Ganesan, A., Mohammadi, N., & Wang, F. (2014). From building blocks of proteins to drugs: A quantum chemical study on structure-property relationships of phenylalanine, tyrosine and dopa. RSC Advances, 4, pp. 8617-8626.
  • Ganesan, A., Dreyer, J., Wang, F., Akola, J., & Larrucea, J. (2013). Density functional study of Cu2+-phenylalanine complex under micro-solvation environment.  Journal of Molecular Graphics and Modelling, 45, pp. 180-191.
  • Ganesan, A., Brunger, M., & Wang, F. (2013). A study of aliphatic amino acids using simulated vibrational circular dichroism and Raman optical activity spectra. European Physics Journal D, 67, pp.229, 1-12.
  • Ahmed, M., Ganesan, A., Wang, F., Feyer, V., Plekan, O., & Prince, K. (2012). Photoelectron Spectra of Some Antibiotic Building Blocks:  2-Azetidinone and Thiazolidine Carboxylic Acid. Journal of Physical Chemistry A, 116, pp. 8653-8660.
  • Mohammadi, N., Ganesan, A., Chantler, C. T., & Wang, F. (2012). Differentiation of ferrocene D5d  and D5h  conformers using IR spectroscopy. Journal of Organometallic Chemistry, 713, pp. 51-59.
  • Ganesan, A., Wang, F., Brunger, M., & Prince, K. (2011). Effects of alkyl side chains to the   properties of the aliphatic amino acids probed using quantum chemical calculations.  Journal of Synchrotron Radiation, 18, pp. 733-742.
  • Ganesan, A., & Wang, F. (2011). Intermolecular interactions of L-phenylalanine: valence ionization spectra and orbital momentum distributions of its fragment molecules, Journal of Computational Chemistry, 32, pp. 525-535.
  • Ganesan, A., Brunger, M., & Wang, F. (2010). Influence of the functional groups on the C(a)-C(b) chain of  L-phenylalanine and its derivatives. Nuclear Instruments and Methods in Physics Research Section A, 619, pp. 143-146.
  • Kalyaanamoorthy, S., Gopal, R. K., Rajasekaran, R., & Ganesan, A. (2010). A novel strategy for mechanism based computational drug discovery. Biomarkers in Cancer, 2, pp. 35-42.
  • Ganesan, A., & Wang, F. (2009). Intramolecular interactions of L-phenylalanine revealed by inner shell chemical shift of model molecules. Journal of Chemical Physics, 131, pp. 044321.1-044321.9.

Updated:  24 October 2017/Responsible Officer:  Director, RSC/Page Contact:  Web Admin, RSC