FMA 0901
:: DESCRIPTION
FMA (Functional mode analysis) is a technique to identify collective atomic motions related to a specific protein function. Given a large set to structures of one protein, for example from a molecular dynamics trajectory, the method detects a collective motion (or collective mode), that is maximally correlated to an arbitrary quantity of interest. In other words, the method aims to explain alterations in a quantity in terms of internal collective motions of the protein.
::DEVELOPER
Computational Molecular Biophysics Group
:: SCREENSHOTS
N/A
:: REQUIREMENTS
- Linux
- Gromacs 4.0.x
:: DOWNLOAD
:: MORE INFORMATION
Citation
J.S. Hub and B.L. de Groot,
Detection of functional modes in protein dynamics,
PLoS Comp Biol 5(8), e1000480 (2009)