Overwhelmed with genomic data, biologists are facing the first big post-genomic question—
what do all genes do? First, not only is the volume of pure sequence and structure data …

Detection, comparison and analyses of binding pockets are pivotal to structure-based drug
design endeavors, from hit identification, screening of exosites and de-orphanization of …

Human-associated microbes are the source of many bioactive microbial products (proteins
and metabolites) that play key functions both in human host pathways and in microbe …

Bioisosteres have been defined as structurally different molecules or substructures that can
form comparable intermolecular interactions, and therefore, fragments that bind to similar …

The hepatitis C virus (HCV) genome shows remarkable sequence variability, leading to the
classification of at least six major genotypes, numerous subtypes and a myriad of …

In 1970, at a time when structural information of one atom was stored on a single punched
card, the crystallographers Helen M. Berman, Edgar Meyer, and Gerson Cohen began …

The ProBiS web server is a web server for detection of structurally similar binding sites in the
PDB and for local pairwise alignment of protein structures. In this article, we present a new …

Fragment‐based drug design (FBDD) is a promising approach for the discovery and
optimization of lead compounds. Despite its successes, FBDD also faces some internal …

Drugs modulate disease states through their actions on targets in the body. Determining
these targets aids the focused development of new treatments, and helps to better …

Quantification of local similarity between protein 3D structures is a promising tool in
computer-aided drug design and prediction of biological function. Over the last ten years …