Dr. Steven Hayward from the School of Computing Sciences, University of East Anglia, Norwich, UK will give a seminar at the School of Mathematics and Physics, on Wednesday the 2nd of March 2016, 2 pm (room JBL0C05 in the Joseph Banks Laboratories, building 22 on the university map). Please join us in attending this interesting talk.

Tools for interacting with biomolecules using a haptic device

Molecular graphics involves visualisation of molecules but rarely allows the user to engage their sense of touch to help learn about biomolecules.

We have developed three software tools that use a haptic (force-feedback) device: “Haptimol-ISAS”, “Haptimol-ENM” and “Haptimol-RD”*. Haptimol-ISAS allows the user to explore the solvent accessible surface of a biomolecule using a haptic device, Haptimol-ENM allows the user to apply forces to an elastic network model of a biomolecule and our latest software tool, Haptimol-RD allows the user to dock molecules rigidly. For Haptimol-RD methods will be described that enable the calculation interaction forces within the time constraint required for smooth perception of forces (1-2 milliseconds). These methods allow us to calculate interaction forces between very large biomolecules when implemented on the GPU.

Future developments will also be discussed, in particular tools that model protein flexibility for drug-protein and protein-protein interactions.

* See: http://www.haptimol.com.