As structural genomics (SG) projects continue to deposit representative 3D structures of
proteins, homology modeling methods will play an increasing role in structure-based drug …

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

Identifying active site residues strictly from protein three-dimensional structure is a difficult
task, especially for proteins that have few or no homologues. We transformed protein …

When a protein's function cannot be experimentally determined, it can often be inferred from
sequence similarity. Should this process fail, analysis of the protein structure can provide …

With many genomes now sequenced, computational annotation methods to characterize
genes and proteins from their sequence are increasingly important. The BioSapiens …

The network paradigm is increasingly used to describe the topology and dynamics of
complex systems. Here, we review the results of the topological analysis of protein structures …

Although hydrophobic interaction is the main contributing factor to the stability of the protein
fold, the specificity of the folding process depends on many directional interactions. An …

Structural genomics has brought us three-dimensional structures of proteins with unknown
functions. To shed light on such structures, we have developed ProKnow (http://www. doe …

Modern rational drug design not only deals with the search for ligands binding to interesting
and promising validated targets but also aims to identify the function and ligands of yet …

Current structural genomics projects are yielding structures for proteins whose functions are
unknown. Accordingly, there is a pressing requirement for computational methods for …