The docking field has come of age. The time is ripe to present the principles of docking,
reviewing the current state of the field. Two reasons are largely responsible for the maturity …

Geometric hashing, a technique originally developed in computer vision for matching
geometric features against a database of such features, finds use in a number of other …

Molecular crystals play an important role in several fields of science and technology. They
frequently crystallize in different polymorphs with substantially different physical properties …

Multiple structural alignment is a fundamental problem in structural genomics. In this article,
we define a reliable and robust algorithm, MUSTANG (MUltiple STructural AligNment …

Polar residue hot spots have been observed at protein–protein binding sites. Here we show
that hot spots occur predominantly at the interfaces of macromolecular complexes …

Structurally conserved residues at protein–protein interfaces correlate with the experimental
alanine-scanning hot spots. Here, we investigate the organization of these conserved …

Here, we present MultiProt, a fully automated highly efficient technique to detect multiple
structural alignments of protein structures. MultiProt finds the common geometrical cores …

A new method has been developed to detect functional relationships among proteins
independent of a given sequence or fold homology. It is based on the idea that protein …

Publisher Summary This chapter discusses the methods that are flexible enough to align
distantly related structures and, therefore, most suitable for identifying and analyzing protein …

Paradigms in drug design and discovery are changing at a significant pace. Concomitant to
the sequencing of over 180 several genomes, the high‐throughput miniaturization of …