Background: Methods are now available for the prediction of interaction sites in protein 3D structures. While many of these methods report high success rates for site prediction, ...
Ying Wei, Jaeju Ko, Leonel F. Murga, Mary Jo Ondre...
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...
Background: The prediction of protein-protein binding site can provide structural annotation to the protein interaction data from proteomics studies. This is very important for th...
Background: The prediction of protein structure can be facilitated by the use of constraints based on a knowledge of functional sites. Without this information it is still possibl...
Abstract. The function of a protein is dependent on whether and how it can interact with various ligands. Therefore, an accurate prediction of protein-ligand interactions is paramo...