Abstract

Although proteins are disordered materials they can be crystallized and an equilibrium distribution of atomic coordinates can be determined using X-ray diffraction. Thus in contrast to liquids and glasses, the relaxation processes that are induced by the medium can be evaluated in terms of a known equilibrium structure. We report here molecular dynamics simulations of the influence of the surrounding protein on the vibrational energy content of the heme (iron porphyrin) typical of that introduced by absorption of the energy of a visible photon.

© 1986 Optical Society of America