New approaches to bridging the timescale gap in the computer simulation of biomolecular processes
Part 3. Proteomics
3.7. Structural Proteomics
Short Specialist Review
Published Online: 15 APR 2005
Copyright © 2005 John Wiley & Sons, Ltd
Encyclopedia of Genetics, Genomics, Proteomics and Bioinformatics
How to Cite
Caves, L. S. D. and Verma, C. S. 2005. New approaches to bridging the timescale gap in the computer simulation of biomolecular processes. Encyclopedia of Genetics, Genomics, Proteomics and Bioinformatics.
- Published Online: 15 APR 2005
Current state-of-the-art computer simulations of biomolecules probe timescales that are generally very short compared to those that characterize most interesting biochemical and biological processes. New developments in simulation methods extend the reach of simulation in a trend that reflects the increasing time resolution of experimental spectroscopic techniques. We propose that the tools of dynamical systems analysis offer a potentially powerful approach to reconciling the view of biomolecular dynamics emerging from both simulation and experiment.
- molecular dynamics simulations;
- reaction pathways;
- time-resolved spectroscopy;
- dynamical systems