Jane Allison (Lecturer in Biochemistry)
Centre for Theoretical Chemistry and Physics
Institute of Natural Sciences
Bldg. 14, Massey University (Albany Campus)
Private Bag 102 904
North Shore Mail Centre
Auckland, New Zealand
Phone +64 9 414 0800 ext. 41451
Fax +64 9 443 9779
CURRENT AND FUTURE RESEARCH INTERESTS
Exploring the relationship between the physico-chemical nature of biological molecules and their behaviour, in terms of structure, dynamics and thermodynamics, is crucial for understanding the function and mis-function of biological systems. Computer simulations are extremely valuable for probing these aspects at both the detailed molecular and ensemble level, as well as uniquely allowing direct visualisation of structure and dynamics.
The majority of my research involves the development and application of computational methods for exploring the conformational dynamics of proteins. These are used to investigate the implications of protein motion on the interpretation of experimental data, particularly from NMR. I work predominantly with atomic-level models, using and developing the GROMOS biomolecular simulation software, analysis programs and force fields. However I am increasingly interested in the development of coarse-grained and multi-scale models, which have the potential to allow simulation of large, heterogeneous systems for biologically relevant time-scales. Most of my work is collaborative in nature, involving researchers distributed throughout the world.