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Computer-Aided Drug Discovery

Computer-Aided Drug Design (CADD) is greatly entwined with Target-Based Drug Discovery (TBDD). The available structural information of the receptor/target influences the strategy of CADD to be used. The journey of a drug from the round bottom flask in the lab to the shelf on the market is quite tedious and complex. To make the process more exciting and efficient, CADD is involved to improve the effectiveness of the drug in development. The triumph of the applications of CADD can be witnessed in the design of marketed cancer drugs. 

In our research group, diverse computational methods, i.e. Homology modelling and Virtual screening (VS) are applied in current research projects. Details of our research involving the utilization of CADD can be found in our publications [http://www.kellychibaleresearch.uct.ac.za/2020-0]