Home / Dr. Tharindu Senapathi




B.Sc. Special Degree (Chemistry) (Honours)– University of Sri Jayewardenapura, Sri Lanka, 2014
M.Sc. (Computational Science) – University of Cape Town, South Africa, 2017
Ph.D. (Chemistry) – University of Cape Town, South Africa, 2021

Senior Lecturer (on contract)

B.Sc.(Honors) (USJP), M.Sc.(UCT), Ph.D.(UCT)

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Physical Chemistry and Computational Chemistry

Undergraduate Teaching:

CHE 106 1.0 Structure and Properties of Matter

ICH 355 1.0 Physical Chemistry for Industry II – Solid State Chemistry

Research interest :

  • Develop computational chemistry and bioinformatics methods to study chemical reactions leading to the structure and function of complex biological molecules that can be traced back to genomic patterns.
  • Apply computational chemistry and bioinformatics methods to study and develop natural products as sources of new drugs.

Selected Publications:

Kevin Naidoo, Tomas Bruce-Chwatt, Tharindu Senapathi, and Malcolm Hillebrand: Multidimensional Free Energy and Accelerated Quantum Library Methods Provide a Gateway to Glycoenzyme Conformational, Electronic and Reaction Mechanisms: Accounts of Chemical Research 2021; DOI:  10.1021/acs.accounts.1c00477.

Simon Bray, Tharindu Senapathi, Christopher B. Barnett, and Björn Grüning: Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial. Journal of Cheminformatics 2020, 12 (1), 1-13; DOI: 10.1186/s13321-020-00451-6. 

Tharindu Senapathi, Miroslav Suruzhon, Christopher B. Barnett, Jonathan Essex, and Kevin J. Naidoo:  BRIDGE an open platform for reproducible high throughput free energy simulations. Journal of Chemical Information and Modeling 2020, 10 (17), e3731-e3731; DOI:10.1021/acs.jcim.0c00206.

Christopher B. Barnett, Tharindu Senapathi, and Kevin J. Naidoo: Conformational play in the binding of variably glycosylated MUC1 antigen to AR20.5 antibody. Beilstein Journal of Organic Chemistry 2020, 16 (1), 2540-2550; DOI: 10.3762/bjoc.16.206. 

Miroslav Suruzhon, Tharindu Senapathi, Michael Steven Bodnarchuk, Russell Viner, Ian Wall, Christopher B. Barnett, Kevin J. Naidoo, and Jonathan W. Essex: ProtoCaller: Robust Automation of Binding Free Energy Calculations. Journal of Chemical Information and Modeling 2020, 60 (4), 1917-1921; DOI:10.1021/acs.jcim.9b01158.

Tharindu Senapathi, Simon Bray, Christopher B. Barnett, Björn Grüning, and Kevin J Naidoo: Biomolecular Reaction and Interaction Dynamics Global Environment (BRIDGE). Bioinformatics 2019, 35 (18), 3508-3509; DOI:10.1093/bioinformatics/btz107.

Upendra A. Rathnayake, Tharindu Senapathi, Chanaka Sandaruwan, Sanja Gunawardene, Veranja Karunaratne, and Nilwala Kottegoda: Rice bran nanofiber composites for stabilization of phytase. Chemistry Central Journal 2018, 12 (1), 1-7.; DOI:10.1186/s13065-018-0400-y.


Research Associate: Scientific Computing Research Unit, University of Cape Town.

Contact information

Telephone number: 0717 385 385

Web: Google Scholar/Tharindu Senapathi

Email: tharindunuwan@sjp.ac.lk