0000000001336833
AUTHOR
Cordone, Lorenzo
showing 2 related works from this author
Hydrogen bond properties of saccharide matrices studied through Infrared Water Association Band
2010
Hydrogen bond properties of saccharide matrices studied through Infrared Water Association Band
Atomic mean square displacements in proteins by Molecular Dynamics: a case for analysis of variance
2004
Information on protein internal motions is usually obtained through the analysis of atomic mean-square displacements, which are a measure of variability of the atomic positions distribution functions. We report a statistical approach to analyze molecular dynamics data on these displacements that is based on probability distribution functions. Using a technique inspired by the analysis of variance, we compute unbiased, reliable mean-square displacements of the atoms and analyze them statistically. We applied this procedure to characterize protein thermostability by comparing the results for a thermophilic enzyme and a mesophilic homolog. In agreement with previous experimental observations, …