Molecular Dynamics and Normal Mode Analysis of Biomolecular Rigidity

Abstract

Normal modes analyses continue to occupy an important niche in dynamical analyses of biomolecules by providing a compact and analytical representation of an important limiting case. The directions of the low-frequency modes often provide useful quantities for description of correlated motion even in the presence of significant anharmonicity. Extensions to disordered or significantly anharmonic systems provide interesting insights into protein dynamics, and suggest new approaches to the analysis of experiments and molecular dynamics simulations.