Journal
BIOPHYSICAL JOURNAL
Volume 97, Issue 4, Pages L8-L10Publisher
CELL PRESS
DOI: 10.1016/j.bpj.2009.06.016
Keywords
-
Categories
Funding
- National Science Foundation (NSF) [MCB0415784]
- National Institutes of Health (NIH) [CA93577]
- National Center for Supercomputing Applications (NCSA) [TG-MCA01S018]
- Div Of Molecular and Cellular Bioscience
- Direct For Biological Sciences [920261] Funding Source: National Science Foundation
Ask authors/readers for more resources
The inactive-to-active conformational transition of the catalytic domain of human c-Src tyrosine kinase is characterized using the string method with swarms-of-trajectories with all-atom explicit solvent molecular dynamics simulations. The activation process occurs in two main steps in which the activation loop (A-loop) opens first, followed by the rotation of the alpha C helix. The computed potential of mean force energy along the activation pathway displays a local minimum, which allows the identification of an intermediate state. These results show that the string method with swarms-of -trajectories is an effective technique to characterize complex and slow conformational transitions in large biomolecular systems.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available