The TuttleLab (www.tuttlelab.com) in the Department of Pure and Applied Chemistry at the University of Strathclyde uses ARCHIE-WeSt to develop minimal peptidic systems that are able to reproduce the key elements of living systems (i.e., structure, reactivity, and recognition). Current projects include the virtual screening of peptides for their self-assembly propensity (movie) and other desired properties;1 and the development of catalytic peptides as minimal enzyme mimetics (Figure 1). These projects are carried out through quantum mechanical, molecular mechanical and coarse grained methods, which are used in and developed by the group. The application of multiple methodological lenses to these problems combine to provide a holistic view of the system across multiple time and length scales.
Figure 1. Development of Catalytic Peptides.
Frederix, P. W. J. M.; Ulijn, R. V.; Hunt, N. T.; Tuttle, T.. J. Phys. Chem. Lett. 2011, 2, 2380.
For a list of the research areas in which ARCHIE-WeSt users are active please click here.