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.

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News From the Lab

Daniella Presents at GRC

Daniella recently attended the Gordon Research Conference on Self-Assembly and Supramolecular Chemistry in Les Diablerets, Switzerland. The Conference will brought together a collection of investigators who are leaders in their fields and provided graduate students an opportunity to present posters. Everyone had a good time in the very scenic setting of the mountains.  

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Congratulations Ines!!!

Following her 3 year stay with the TuttleLab Ines Moreira successfully defended her thesis titled “Respnsive Emulsifiers Based on Peptide Self-Assembly” and completed her PhD. After the exam Ines received positive feedback on her performance. Well Done on all your hard work and congratulations from all the group and best of luck for the future.

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Well Done Armelle

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.

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