Informatics and Visualisation
Glycoinformatics | Bioinformatics | Structural Biology | Cheminformatics | Visual Analytics
Computation and Modelling
QM/MM Computations | Free Energy Computations | Coarse Grain Computations | Molecular Modelling | Ionic Liquid Property Design
Accelerated Code for Life Science Applications
GPU Hardware acceleration | InfiniBand CPU clusters
Cancer Translational Science Laboratory
Glycobiology | Next Generation Antimicrobials | Cancer
Glycoenzyme Kinetics
Synthesis | High Throughput Screening | Glycoenzyme Assays | Computational Design | Kinetics


Thursday, 13 December 2018
Breast Cancer Awareness Month

October is Breast Cancer Awareness Month, which is an annual campaign to increase awareness of the disease

This is relevant to our research unit as we aim to classify cancer at the genetic and molecular (Glycan) level. Using our mechanistic understanding of glycosylation and glycolysis of tumours we design leads for molecular classes of Cancer. SCRU laboratories collaborate closely with medicinal laboratories as well as human biology laboratories to translate basic research findings into new clinical strategies for diagnosis and therapy.

Publication Date:
Mon, 23 Oct 2017 - 14:15
Scientific Computing International Lecture Series

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

Publication Date:
Wed, 04 Oct 2017 - 15:30
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:
Wed, 23 Aug 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:
Thu, 23 Mar 2017 - 06:15