Molecular Dynamics of Proteins Investigated by NMR Relaxation Methods

Molecular dynamics studies of NMR relaxation in proteins.

There is a growing awareness that the visualization of proteins as large rigid molecules, each of which can be described by a single static structure, is inadequate. Instead, it is now realized that proteins undergo structural fluctuations which span a range of times from subpicoseconds to milliseconds or longer. In this report we are concerned with the relation between protein fluctuations occ...

Conformational Flexibility in Nucleic Acids Investigated by NMR Relaxation

Vol. k, No. 3/4 All of the different steps in these processes involving nucleic acids, including control steps, require recognition of unique sites on the nucleic acids, which may be short-lived. The packaging of polynuc1eotides into compact forms in chromatin, ribosomes, and viruses involves folding of the nucleic acids. These and other observations indicate that the deformation of polynucieot...

Dynamics of Water in Zeolite NaY(Br) Investigated by NMR

1. Introduction Zeolites are widely used in industry as molecular sieves, selective adsorbents, catalysts and ion exchangers (e.g. [1] and references therein). Therefore there is a great interest in studying the dynamics of guest molecules in such systems. Although vigorous research has been performed in the field, a complete understanding of the complex behaviour of guest molecules is still mi...

Fluorine dynamics in BaF 2 superionic conductors investigated by NMR

MOLECULAR STRUCTURE Conformation of hexadecylphosphocholine, an anticancer drug, by molecular dynamics and NMR methods

The conformation of hexadecylphosphocholine (HPC) and its interaction with model membranes prepared from dipalmitoylphosphatidylcholine (DPPC) have been investigated by molecular dynamics (MD) and NMR methods. The results of MD studies indicate that in the global minimum energy structure, the phosphocholine head group of the drug is bent at rib and TI9, while the hexadecyl chain is nearly exten...