Molecular Modelling in Biochemistry

Molecular modelling is a very useful tool in the design and interpretation of experiments. This is well recognised in Bristol, where most research groups have used this technique, to a greater or lesser extent.

Molecular modelling can also be thought of as a subset of Bioinformatics and, as we pass into the "post-genomic sequence era", this field will play an ever more important role in scientific research.

Computer hardware advances continue to follow Moore’s law, formulated in the 1960s, which states that machine speed’s roughly double every 18 months. This is allowing the application of evermore sophisticated modelling techniques to routine problems. The following molecular modelling techniques and projects are actively pursued in the School of Biochemistry:

• homology modelling
• ligand/drug design
• mutant design
• molecular mechanics/dynamics
• semi-empirical molecular orbital calculations
• protein structure prediction.

More information about my research.

More information about the Bristol University Docking Engine (BUDE).