The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …

It has long been recognized that knowledge of the 3D structures of proteins has the potential
to accelerate drug discovery, but recent developments in genome sequencing, robotics and …

The PROCHECK suite of programs provides a detailed check on the stereochemistry of a
protein structure. Its outputs comprise a number of plots in PostScript format and a …

We present a prototype of a new approach to the folding problem of polypeptide chains. This
apprach is based on the analysis of known protein structures. It derives the energy potentials …

Currently, the prediction of three‐dimensional (3D) protein structure from sequence alone is
an exceedingly difficult task. As an intermediate step, a much simpler task has been pursued …

Abstract KNOWLEDGE of the tertiary structure of the proteinase from human
immunodeficiency virus HIV-1 is important to the design of inhibitors that might possess …

A systematic classification of β-hairpin structures which takes into account the polypeptide
chain length and hydrogen bonding between the two antiparallel β-strands is described. We …

Abstract Knowledge, both from the three-dimensional structures of homologous proteins and
from the general analysis of protein structure, is of value in modeling a protein of known …

A protein is defined as an indexed string of elements at each level in the hierarchy of protein
structure: sequence, secondary structure, super-secondary structure, etc. The elements, for …

Pentraxins, which include C reactive protein (CRP) and serum amyloid P component (SAP),
are prototypic acute phase reactants that serve as indicators of inflammatory reactions. Here …