We present the relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecule...
Kun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andr...
Background: Owing to rapid expansion of protein structure databases in recent years, methods of structure comparison are becoming increasingly effective and important in revealing...
The native conformation of a protein, in a given environment, is determined entirely by the various interatomic interactions dictated by the amino acid sequence (1-3). We describe...
Shankar Subramaniam, David K. Tcheng, James M. Fen...
Background: We present a novel method of protein fold decoy discrimination using machine learning, more specifically using neural networks. Here, decoy discrimination is represent...
Proteins are large organic compounds made of amino acids arranged in a linear chain (primary structure). Most proteins fold into unique threedimensional (3D) structures called inte...
Marco Vassura, Luciano Margara, Filippo Medri, Pie...