The 3D conformation of a protein may be compactly represented in a symmetrical, square, boolean matrix of pairwise, inter-residue contacts, or "contact map". The contact...
Jingjing Hu, Xiaolan Shen, Yu Shao, Chris Bystroff...
Background: Knowledge-based potentials have been widely used in the last 20 years for fold recognition, protein structure prediction from amino acid sequence, ligand binding, prot...
Yaping Feng, Andrzej Kloczkowski, Robert L. Jernig...
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...
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: With continuing identification of novel structured noncoding RNAs, there is an increasing need to create schematic diagrams showing the consensus features of these mol...