While the number of sequenced genomes continues to grow, experimentally verified
functional annotation of whole genomes remains patchy. Structural genomics projects are …

Genomic centers discover increasingly many protein sequences and structures, but not
necessarily their full biological functions. Thus, currently, less than one percent of proteins …

Background Protein tertiary structure comparisons are employed in various fields of
contemporary structural biology. Most structure comparison methods involve generation of …

Proteins are usually described and classified according to amino acid sequence, structure or
function. Here, we develop a minimally biased scheme to compare and classify proteins …

Rapid advances in high-throughout genome sequencing technologies have resulted in
millions of protein-encoding gene sequences with no functional characterization. Automated …

Protein residues within binding pockets play a critical role in determining the range of
ligands that can interact with a protein, influencing its structure and function. Identifying …

In this study, we carried out a comparative analysis between two classical methodologies to
prospect residue contacts in proteins: the traditional cutoff dependent (CD) approach and …

Motivation: Predicting protein function is a central problem in bioinformatics, and many
approaches use partially or fully automated methods based on various combination of …

Background Structural genomics projects such as the Protein Structure Initiative (PSI) yield
many new structures, but often these have no known molecular functions. One approach to …

Living organisms have evolved a vast array of catalytic functions that make them ideally
suited for the production of medicinally and industrially relevant small-molecule targets …