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 Structural Descriptor Database (SDDB) is a web-based tool that predicts the function of proteins and functional site positions based on the structural properties o...
Juliana S. Bernardes, Jorge H. Fernandez, Ana Tere...
Background: Small molecular cofactors or ligands play a crucial role in the proper functioning of cells. Accurate annotation of their target proteins and binding sites is required...
Abstract—The exact relationship between protein active centers and protein functions is unclear even after decades of intensive study. To improve the functional prediction abilit...
Background: Relating features of protein sequences to structural hinges is important for identifying domain boundaries, understanding structure-function relationships, and designi...
Samuel Flores, Long J. Lu, Julie Yang, Nicholas Ca...