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Software Development for Life Sciences
Quantum Chemistry on GPUs (QSL) | Multidimensional Free Energy (FEARCF) | GPU Numerical Potential Coarse Grain MD (FEFI)
Reaction Dynamics and Inhibitor Design
Role of Glycosyltransferases in Cancer | Role of Neuraminidases in Respiratory Diseases | Glycomimetic Inhibitor Design
Visualisation and Data Analytics
Virtual HTS Software(BRIDGE) | Differential Gene Expression Analytics | Cancer Class Discovery Software (DASOM)
Translational Science
Breast Cancer Biomarker Development | Breast Cancer Biomarker Clinical Trails
Glycobiomedical Therapeutics from Mechanisms
Glycomimetic TSA synthesis | Glycoenzyme Expression and Structure | TSA Inhibitor HTS | Cellular Assays

News

Monday, 21 June 2021
SCILS 2019:  Linking Machine Learning and Machines

The Scientific Computing Research Unit at the University of Cape Town is hosting  its 10th annual Scientific Computing International Lecturer Series (SCILS). 

The  2019 SCILS will be in the form of an interactive Workshop entitled “The link between Machine Learning and Machines” including some applications of Deep Learning & AI  which will conducted by industry leaders from IBM OpenPower, Mellanox and NVIDIA.

 

Publication Date:
Mon, 21 Oct 2019 - 15:15
Student News Article : Dr Rizqah Kamies

Dr Rizqah Kamies joined the Scientific Computing Research Unit in 2017 as a postdoctoral fellow. Rizqah managed the Cancer Translation Laboratory and worked on testing computational designs of key cancer targets inhibitors. 

Publication Date:
Wed, 21 Aug 2019 - 15:15
Galaxy Community Conference 2019

Dr Chris Barnett attended the Galaxy Community Conference 2019 in Freiburg, Germany. He presented on "Galaxy Computational Chemistry" and overviewed his collaborative research on creating computational tools, the BRIDGE platform (see the publication) and the Galaxy computational chemistry community. Applications for the tools include investigation of molecular conformation, protein dynamics and bio-orthogonal sugars. Tools for analysis of bio-orthogonal sugars and post analysis of ab initio MD simulations are in further development. Many of the tools are currently available at https://cheminformatics.usegalaxy.eu in collaboration with Björn Grüning, Simon Bray and the University of Freiburg.

Publication Date:
Fri, 12 Jul 2019 - 15:15
Masters in Computational Science Awarded with distinction

 

Congratulations to Ananya Gangopadhyay, who graduated in April with a Masters Degree in Computational Science, with distinction, her thesis titled Accelerator-based Look-up Table for Coarse-grained simulations.

Publication Date:
Tue, 28 May 2019 - 12:15

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