Research in the TuttleLab is focused on the concept of reducing molecular search spaces. The reduction of molecular search spaces involves the use of computational methodology to inform, focus and drive the direction of molecular research. The group works in close collaboration with experimental colleagues to ensure the results from our design work are able to be directly implemented in a practical laboratory. The process of reducing molecular search spaces involves three phases: (1) rationalising and understanding existing systems; (2) isolating the governing molecular processes; and (3) predicting new systems with enhanced/desirable properties and reactivities. A variety of different methods are used in pursuit of this goal, including ab initio, DFT, semi-empirical, MM, coarse grain and hybrid QM/MM methodologies.
News From the Lab
Well done to our Final Year Undergraduate students Iain, Chris and Sam on completing their projects and handing in their thesis. We thank them for their work over the year and wish them luck for their exams.
Congratulations to Armelle Le Gall on successfully passing her viva. Her thesis was titled “Studies and Improvements of Molecular Docking Methods in Rigid and Flexible Receptors” Armelle was a joint student between GSK and Strathclyde doing work focussing on molecular docking in a drug discovery context. We wish Armelle the best of luck for the future.
Gary’s recent work with the development of tripeptide based emulsifiers (published in Advanced Materials) has been attracting quite a bit of attention from the food and cosmetics industry. This work was featured in the February, 2017 edition of INFORM magazine, which is a leading international magazine on oils, fats and related materials. The article “Structuring with Peptides” by Fiona […]
This year the Tuttlelab decided to include escape rooms into their Christmas party. They split into two teams and did a room each. Both teams managed to escape (although one much faster than the other). The festivities then moved on to the Butterfly and Pig where the group enjoyed a very enjoyable meal, after this […]