Transition Path Sampling Simulations of Biological Systems
- Author(s)
- Christoph Dellago, Peter G Bolhuis
- Abstract
Transition path sampling is a computational method for the simulation of rare but important events occurring in complex systems. Based on a statistical mechanics in trajectory space, transition path sampling can be applied to identify mechanisms and determine rate constants. Here we review the basic ideas and algorithms of transition path sampling and discuss some recent applications of this methodology to problems in molecular biology including protein folding, enzyme catalysis, and processes occurring in lipid bilayers.
- Organisation(s)
- Computational and Soft Matter Physics
- External organisation(s)
- University of Amsterdam (UvA)
- Pages
- 291-317
- No. of pages
- 27
- DOI
- https://doi.org/10.1007/128_085
- Publication date
- 2007
- Austrian Fields of Science 2012
- 104022 Theoretical chemistry, 103029 Statistical physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/63883910-8152-4bbe-ad4b-758410fc54c2