Dr Paul King
Programme Director BSc Chemistry/Analytical Chemistry
tel: +44 (0)20 7079 0794
fax: +44 (0)20 7631-6246
Room 360b, Department of Biological Sciences
- Computer simulation and drug design:
Use of classical computer simulation methods to study the dynamics of liquid crystals
- Use of quantum mechanical methods in computer simulation
- Drug design based on methods of quantum mechanics and molecular simulation
- Development of methods for the determination of free energy from computer simulation
- Design and simulation of modified DNA sequences as potential therapeutic agents
- Heard, P J, King, P M, Bain, A D, Hazendonk, P, Tocher, D A. A detailed NMR study of the solution stereodynamics in tricarbonylrhenium (I) halide complexes of the non-racemic chiral ligand 2,6-bis[4R,5R)-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and the molecular structure of fac- [ReBr(CO)3(L1)]. J Chem. Soc. Dalton Trans.
- Hickman, D. T., Tan, T. H. S., King, P. M., Cooper, M. A., Micklefield, (2003). Design, synthesis, conformational analysis and nucleic acid hybridisation properties of thymidyl pyrrolidine-amide oligonucleotide mimics (POM). J. Org. Biomol. Chem. 1:3277-3292.
- King, P M (1998) The free energy differences between 3-point water models. Mol Phys 94, 717-725.
- McMahon, A J, King, P M (1997) Optimization of Carbo molecular similarity index using gradient methods. J. Comput. Chem. 18, 151-158.