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Current News

Latest news for the Scientific Computing Research Unit

Scientific Computing International Lecture Series
Wednesday, October 4, 2017 - 15:30

Professor Jonathan W. Essex (Director of Research, Computational Systems Chemistry, Chemistry Department, University of Southampton) has been invited as part of the SCILS. 

He will present a DEPARTMENTAL LECTURE on Protein-Ligand Binding by Free Energy Simulations: Issues, Successes and Failures.
Further information about Prof Essex and his research is available at

In memory of Dr Karl Wilkinson : 19-02-1981 to 25-08-2017
In memory of Dr Karl Wilkinson
Friday, August 25, 2017 - 10:00


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.


Masters in Computational Science has its first graduate
Wednesday, August 23, 2017 - 14:45

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.

Novel Multidimensional Enzyme Reaction Dynamics method reported in ACS Catalysis
Thursday, March 23, 2017 - 06:15

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.

Mr Ian Rogers receives the South African Chemical Institute (SACI) award
Tuesday, November 22, 2016 - 10:00

As a SACI Post-Graduate Awardee, Mr Rogers was nominated as a young innovative chemist and is the University of Cape Town recipient. 

The recipients of the award should be considered as being “young innovative chemists”. The characteristics of such a person are: Innovation, Independence, Enterprise. This award is made to students engaged in research towards an MSc or PhD degree at a University, or a MTech or DTech degree at a University of Technology. The number of medals awarded shall not exceed five per annum, and the awards are limited to one per institution.

Glycosyltransferase Gene Expression Profiles Classify Cancer Types and Propose Prognostic Subtypes
Tuesday, May 24, 2016 - 16:00

The combined effect of differential expression leading to cancer segregation and highly ranked importance of GT genes in cancer identification emphasizes that the biochemical pathways underlying key phenotypes across cancers differ significantly.

SCRU Launches the Masters in Computational Science degree
Friday, January 1, 2016 - 16:00

This Degree programme aims to prepare students in the methodology required to undertake research in computational science as applied to chemistry, chemical biology, biophysics and chemical physics.