Spectroscopy of Molecular Structure and Dynamics

摘要: Dynamic aspects of molecular structure at atomic resolution have become increasing importance as experimental and theoretical methods been improving for the analysis motions (Frauenfelder et al., 1979; Artemiuk al, Karplus McCammon, 1983). Simulating motion individual atoms from knowledge their position interatomic forces (McCammon Harvey, 1987; Brooks 1988) has opened way to predict behavior functional assemblies such complex enzymes nucleic acids. An important part this approach are techniques which can provide data on structural variation in a time range is accessible dynamics simulation (10-12–10-9s).