Abstract: Graphs are often used to describe and analyze the geometry and physicochemical composition of biomolecular structures, such as chemical compounds and protein active sites...
Thomas Fober, Marco Mernberger, Ralph Moritz, Eyke...
Computational analyses of protein structure-function relationships have traditionally been based on sequence homology, fold family analysis and 3D motifs/templates. Previous struct...
Reetal Pai, James C. Sacchettini, Thomas R. Ioerge...
Background: Post-translational modifications have a substantial influence on the structure and functions of protein. Post-translational phosphorylation is one of the most common m...
Paul D. Yoo, Yung Shwen Ho, Bing Bing Zhou, Albert...
THEMATICS (Theoretical Microscopic Titration Curves) is a simple, reliable computational predictor of the active sites of enzymes from structure. Our method, based on well-establi...
Ihsan A. Shehadi, Alper Uzun, Leonel F. Murga, Val...
Motivation: With the increasing availability of protein structures, the generation of biologically meaningful 3D patterns from the simultaneous alignment of several protein struct...