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Accueil > Publications > Recherche par années > Années 2000 > 2008

Hinsen, K ; Kneller, G

Solvent effects in the slow dynamics of proteins

Proteins : Structure, Function and Genetics 70(4) 1235-1242

par Administrateur - publié le

Abstract :

The influence of solvent on the slow internal dynamics of proteins is studied by comparing Molecular Dynamics simulations of solvated and unsolvated lysozyme. The dynamical trajectories are projected onto the protein’s normal modes in order to obtain a separate analysis for each of the associated time scales. The results show that solvent effects are important for the slowest motions (below ï¿1/2 1/ps) but negligible for faster motions. The damping effects seen in the latter show that the principal source of friction in protein dynamics is not the solvent, but the protein itself.