Group Leader

Dr. Tell Tuttle

Tell Tuttle's research is focused on the concept of "reducing molecular search spaces" - a term that was coined in the group. The group works closely with experimental colleagues to address practical problems in the areas of molecular structure (development of new materials), molecular recognition (drug design), molecular reactivity (new catalysts and new paradigms in organic reaction mechanisms) and molecular properties (development of organic photovoltaics). The understanding derived from the computational and theoretical methods employed in our research results in the generation of predictive models that are used to design molecular-based solutions to a range of problems from chemistry to biomedicine to nanotechnology to organic electronics.

Biography

2010 - date: Senior lecturer in physical organic chemistry at the University of Strathclyde, Glasgow, UK

2007 - 2010: Lecturer in Physical Organic Chemistry at the University of Strathclyde, Glasgow, UK

2004 - 2006: Post doc in the group of Prof. Walter Thiel at the Max Planck Institut für Kohlenforschung, Mülheim an der Ruhr, Germany.

2002 - 2004: PhD thesis in theoretical chemistry, supervised by Prof. Dieter Cremer and Prof. Elfi Kraka at Göteborg University, Sweden.

2001: Honours year thesis in computational chemistry with Prof. Brian Yates at the University of Tasmania.

1998 - 2000: Undergraduate studies at the University of Tasmania. B.Sc with majors in physics and chemistry.

The Team

Current Group members

Graduate Students

Allan Young

Allan’s work is focused on developing molecular clips containing super electron donors developed by the Murphy group, with the aim of replacing transition-metal catalysed cross-couplings. Allan uses Density Functional Theory to aid in the design of molecular clips, and hopes to use a meta-heuristic search optimiser to rank binding conformations of substrates following design of molecular clips.

    Marie-Pierre Dreanic

    My PhD is a collaborative programme between GSK and the University of Strathclyde. My project is about applying computational methods for a rational design of biocatalyst mainly using QM/MM methods. QM/MM calculations will allow me to gain further insight into enzyme's catalytic mechanisms and simulate the effect of mutations.

      Mark Allison

      Mark’s project will use a combination of computational theory and experimental work to assist in the development of novel organic super electron donors, with aim of transition metal free coupling reactions.

        Ines Moreira

        Inês is working towards a PhD in a collaborative project between Dr. Tell Tuttle and Prof. Rein Ulijn. Her project is on the self-assembly and molecular modelling of aromatic peptide amphiphiles. The objective is to both experimentally and computationally, evaluate these as emulsion stabilisers and to study their final supramolecular structures at the water/oil interface.

          Florimond Cumine

          The aim of Florimond’s project is to find organic electron donors, which can promote the coupling reactions between two aryl moieties without the requirement of any transition metal. His computational studies are mainly to check the energy barriers of the electron transfer reactions from an electron donor to an aryl halide (with Marcus theory) and of the coupling reaction cycle.

            Katie Emery

            Katie’s work is a combination of computational theory and synthetic studies in collaboration with Professor John Murphy. Katie applies density functional theory to gain further insight into her mechanistic studies, supporting her experimental work. Katie’s project uses an organic electron donor for the transition metal-free formation of -aryl carbonyl bonds.

              Gary Scott

              Gary is working with the field of molecular dynamics to discover how the self-assembly of peptide systems are driven. In a joint experimental and theoretical project, Gary uses the predictive tool of theoretical chemistry to hand pick interesting peptides that show self-assembling behaviour. The purpose of this is for implementation in the food industry where these self-assembly features enhance the structure of products or stabilise proteins.

                Armelle Le Gall

                My PhD is being carried out at GSK. My project has been focussing on molecular docking in a drug discovery context. I started my studies in a rigid receptor and recently I have been concentrating on how to take protein flexibility into account in docking experiments. In particular, I have been using induced fit docking (IFD) and trying to improve the IFD protocol, in particular, focussing on modifying the scoring function.

                  Undergraduate Students

                  Christopher Faulkner

                  2016-2017

                    Iain Prentice

                    2016-2017

                      Samuel Stewart

                      2016-2017


                        Previous Group Members

                        Post Docs

                        Bhaskar Mondal

                        2010-2013

                          Jörg Sassmannshausen

                          2009-2010

                            Qinghua Ren

                            2008-2010

                              Graduate Students

                              Greg Anderson

                              2016

                                Daniel Cannon

                                2016

                                  Ivan Ramos-Sasselli

                                  2016

                                    Marc Reid

                                    2015

                                      Nicola Caldwell

                                      2015

                                        Christopher Idziak

                                        2013

                                          Pim Frederix

                                          2013

                                            Undergraduate Project Students

                                            Lauren Barrie

                                            2015-2016

                                              Sarah Dyer

                                              2015-2016

                                                Luca Bartek

                                                2015-2016

                                                  Victoria Lang

                                                  2015-2016

                                                    Emma Matthews

                                                    2014-2015

                                                      Louise Cranston

                                                      2013-2014

                                                        Kimberley Ross

                                                        2013-2014

                                                          Iain Cameron

                                                          2013-2014

                                                            Sarah Christmas

                                                            2012-2013

                                                              Jessica Padden

                                                              2012-2013

                                                                Amy Romaniuk

                                                                2012-2013

                                                                  Allan Young

                                                                  2012-2013

                                                                    Ivan Ramos-Sasselli

                                                                    2011-2012

                                                                      Deborah Cleary

                                                                      2011-2012

                                                                        Emily Bell

                                                                        2011-2012

                                                                          Kate Hannaby

                                                                          2010-2011

                                                                            Daniel Cannon

                                                                            2010-2011

                                                                              Joe Cameron

                                                                              2010-2011

                                                                                Scott Flemming

                                                                                2009-2010

                                                                                  Undergraduate Summer Students

                                                                                  Kirsty Anderson

                                                                                  2016

                                                                                    Pauline Verite

                                                                                    2016

                                                                                      Fabian Talbot

                                                                                      2015

                                                                                        Vincent Montigaud

                                                                                        2015

                                                                                          Jemma Machlachlan

                                                                                          2015

                                                                                            Lisa Cowling

                                                                                            2015

                                                                                              Andy Roberts

                                                                                              2012

                                                                                                Ben Snow

                                                                                                2012

                                                                                                  James Fox

                                                                                                  2009

                                                                                                    Tom Morrell

                                                                                                    2009

                                                                                                      Visiting Scholars

                                                                                                      Pardis Tabaee

                                                                                                        Frank Fischer

                                                                                                        Now PhD student in the Sauer Lab, HU Berlin