Computational Chemical Biology
- G.J.P. van Westen
Over the last five decades computers have gradually started to play a more important part in our daily lives. Science, and in particular drug discovery, is no different. Computers are invaluable in the complex process that is drug discovery, from playing a supportive role through documentation and publications of the results, to hard-core research projects being run completely in silico. In fact, this term has been added to the traditional in vitro and in vivo.
While a diverse array of computational methods have been created, in our group we focus mostly on two key research areas: structure based methods (molecular modeling) and leveraging diverse and large-scale public data (‘big data’; cheminformatics, bioinformatics, and data mining). These techniques are both investigated on their own (can we discover better ways to do computational research) and applied (can we use these methods to answer scientific questions in the context of a research project). For more information and a better understanding, why don’t you explore one of the more detailed pages listed below.