Providing access to expertise in the school of Computing Sciences.

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Touching Proteins

Business Challenge

Biomolecules are examples of highly complex three dimensional objects which are often visualised using molecular graphics. The augmentation of our sense of sight with touch would be a useful aid in understanding the overall three dimensional shape of a biomolecule. In addition if our probe for touching the protein surface were the size of a water molecule one could also determine solvent-accessible regions of the biomolecule.

Our Solution

Our application enables the user to employ their sense of touch in order to gain an insight into the three-dimensional shape of a complex biomolecule and, by using a "cursor" that is the same size as a water molecule, hard-sphere interactions with the biomolecule can be calculated to determine regions on the molecular surface that are accessible to water.

Business Benefits

Researchers working in the School of Biology have utilised the system to investigate new channels in their proteins that previously had gone unnoticed. Future research aims to incorporate the dynamic properties of proteins during the molecular interactions.

More Detail

For further information download the full Touching Proteins Case Study.