Projects per year
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).
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- 3 Finished
1/09/14 → 30/09/21
1/09/12 → 1/03/14
MOLECULAR DYNAMICS SIMULATIONS OF NATIVE PROTEINS AND FOLDING INTERMEDIATES AND CORRELATION WITH NMR PROTECTION
1/01/00 → 1/07/00
Identification and Validation of Novel Microtubule Suppressors with an Imidazopyridine Scaffold through Structure-Based Virtual Screening and DockingElseginy, S. A., Oliveira, S., Shoemark, D. K. & Sessions, R. B., 14 May 2022, (Accepted/In press) In: RSC medicinal chemistry.
Research output: Contribution to journal › Article (Academic Journal) › peer-review
A conserved arginine with non-conserved function is a key determinant of agonist selectivity in α7 nicotinic ACh receptorsMinguez Viñas, T., Shoemark, D. K., Sessions, R. B., Mulholland, A. J., Gallagher, T., Oliveira, A. S. & al., E., 8 Mar 2021, In: British Journal of Pharmacology. 178, 7, p. 1651-1668 18 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-reviewOpen AccessFile13 Downloads (Pure)
Oliveira, A., Avila Ibarra, A., Shoemark, D. K., Gallagher, T., Sessions, R. B., Mulholland, A. J. & et al., 16 Mar 2021, In: Biophysical Journal. 120, 6, p. 983-993 11 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-reviewOpen AccessFile11 Citations (Scopus)13 Downloads (Pure)