Published on Brock University (http://www.brocku.ca)
Research
Group Objective: to predict and elucidate biomacromolecular structure via computational methods, especially Monte Carlo and molecular dynamics simulations.
Current Projects:
- Monte Carlo Simulations of Model Antibody Loops
- Comparative Modelling of alpha-tocopherol transfer protein
- Efficient generation of low-energy folded states of a model protein
- Modelling of Photosystem I
In general, we perform molecular modelling of small and large molecules. We apply pattern recognition and classification algorithms to problems of chemical interest (e.g. quantitative-structure activity relationships (QSAR); comparative molecular field analysis (CoMFA)). Collaborative efforts are underway on a variety of QSAR studies of both chemical and drug-related interest.
Positions available for MSc students in Chemistry or Biotechnology
Research Projects for CHEM/BTEC 4F90/4F91 students
- Flexibility Assessments of Peptide Loops
- CoMFA Modelling of Sulfoxides
- Serum Amyloid A - Conformations and Three dimensional Potential Fields
- Conformations of Porphyrin Cu2+ - Free Base Heterodimers
Department of Chemistry
