Computation and Modelling
Parallel Computing | QM/MM Computations | Free Energy Computations | Coarse Grain Computations | Molecular Modelling | Ionic Liquid Property Design
Informatics and Visualisation
Glycoinformatics | Bioinformatics | Structural Biology | Cheminformatics | Visual Analytics
Cancer Translation Science Laboratory
Glycobiology | Next Generation Antimicrobials | Cancer


Saturday, 23 September 2017
In memory of Dr Karl Wilkinson : 19-02-1981 to 25-08-2017
In memory of Dr Karl Wilkinson


Dr Karl Wilkinson : 19-02-1981 to 25-08-2017

There are moments in the lives of even the most rationale amongst us when we are reminded of our frailty and of the strength we draw from being amongst like minded souls. Today is such a day for the colleagues and students in the Scientific Computing Research Unit and the Department of Chemistry.  We have lost Karl Wilkinson a friend, a colleague, a mentor, a young mind that gave us so much.


Publication Date:
Friday, August 25, 2017 - 10:00
Masters in Computational Science has its first graduate

Members of the Scientific Computing Research Unit (SCRU) celebrated with Tharindu Senapathi as he became the first graduate of the Master degree in Computational Science at UCT and in South Africa.

Publication Date:
Wednesday, August 23, 2017 - 14:45
Novel Multidimensional Enzyme Reaction Dynamics method reported in ACS Catalysis

Multidimensional Reaction Dynamics Reveal How the Enzyme TcTS Suppresses Competing Side Reactions and Their Side Products. The suppression of competing reactions that lead to side products is one of the key mechanistic actions defining enzyme catalysis. The transfer of sialic acid (SA) in a water solution is susceptible to two competing side reactions, but a single product is the outcome in the glycosylation and deglycosylation.

Publication Date:
Thursday, March 23, 2017 - 06:15