Accueil > Publications > Recherche par années > Années 1990 > 1998

Hinsen, K

Analysis of domain motions by approximate normal mode calculations

Proteins-Structure Function and Genetics 33 (3) 417-429

par Administrateur - publié le

Abstract :

The identification of dynamical domains in proteins and the description of the low-frequency domain motions are one of the important applications of numerical simulation techniques. The application of these techniques to large proteins requires a substantial computational effort and therefore cannot be performed routinely, if at all. This article shows how physically motivated approximations permit the calculation of low-frequency normal modes in a few minutes on standard desktop computers, The technique is based on the observation that the low-frequency modes, which describe domain motions, are independent of force field details and can be obtained with simplified mechanical models.