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
International Meeting on Peptide & Protein based Materials and Technologies
The Nanopeptide 2015 International Meeting was held from the 2nd to the 4th March at the University of Strathclyde, more specifically in the most recent building Technology and Innovation Centre (TIC). It was a very interesting event on Materials science, soft matter physics, biophysics and chemistry through to biomedical applications of peptide & protein biomaterials. […]
TuttleLab Christmas Dinner 2014
This year, the TuttleLab ventured out to Glasgow’s West End and enjoyed a tasty Christmas Dinner courtesy of Roastit Bubbly Jocks. Secret Santa didn’t fail to bring a smile to everyone’s face as per tradition. The most notable event of the evening, however, was what can only be known as the great potato theft of […]
Tripeptide Hydrogelators on the Cover of Nature Chemistry
Our recent work with the Ulijn groups on the use of computational methods to reduce the search space for new tripeptide hydrogelators has been featured on the cover of nature chemistry and has been the topic of a Nature Chemistry News and Views piece by Ehud Gazit. Peptides are the building blocks of living […]
Ir Deuteration Catalysts make it on to the Inside Cover of ASC
Our work with the Kerr group on understanding the mechanism behind the Ir-based deuteration catalysts has been chosen as the inside cover of Advanced Synthesis and Catalysis. You can read about the specifics of the reaction here. Importantly, this work lays the foundation for a large number of studies where we have utilised our understanding of the […]