Title :
Automatic identification of alpha-helices in X-ray diffraction patterns
Author :
Mazzone, Annamaria ; Dibenedetto, Domenica ; Nico, Giovanni ; Cascarano, Gianluca ; Caliandro, Rocco
Author_Institution :
Ist. di Cristallografia (IC), Consiglio Naz. delle Ric. (CNR), Bari, Italy
Abstract :
A method is presented to determine the helix orientation starting from X ray diffraction data. Our method is based on the periodicity properties of alpha helix and on the analysis of the properties of the corresponding Patterson function, obtained directly from raw crystallographic intensities. Knowledge of helix orientation is a useful information within the structure solution process of proteins.
Keywords :
X-ray crystallography; X-ray diffraction; biochemistry; macromolecules; molecular biophysics; proteins; Patterson function; X-ray crystallography; X-ray diffraction patterns; alpha-helices; automatic identification; biomolecules; helix orientation; periodicity properties; protein structure solution process; raw crystallographic intensities; Computational modeling; Crystallography; Diffraction; Proteins; Three dimensional displays; X-ray diffraction; Protein structure; X-ray crystallography; drug design;
Conference_Titel :
Medical Measurements and Applications Proceedings (MeMeA), 2011 IEEE International Workshop on
Conference_Location :
Bari
Print_ISBN :
978-1-4244-9336-4
DOI :
10.1109/MeMeA.2011.5966729
