Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …

The “protein folding problem” consists of three closely related puzzles:(a) What is the folding
code?(b) What is the folding mechanism?(c) Can we predict the native structure of a protein …

Genetic factors modifying the blood metabolome have been investigated through genome-
wide association studies (GWAS) of common genetic variants and through exome …

A key challenge of modern biology is to uncover the functional role of the protein entities that
compose cellular proteomes. To this end, the availability of reliable three-dimensional …

Cross-talk between different types of post-translational modifications on the same protein
molecule adds specificity and combinatorial logic to signal processing, but it has not been …

SWISS‐MODEL pioneered the field of automated modeling as the first protein modeling
service on the Internet. In combination with the visualization tool Swiss‐PdbViewer, the …

Immune cells are somewhat unique in that activation responses can alter quantitative
phenotypes upwards of 100,000-fold. To date little is known about the metabolic adaptations …

Comparative protein structure modeling predicts the three‐dimensional structure of a given
protein sequence (target) based primarily on its alignment to one or more proteins of known …

The design, implementation, and capabilities of an extensible visualization system, UCSF
Chimera, are discussed. Chimera is segmented into a core that provides basic services and …

Abstract The InterPro database (http://www. ebi. ac. uk/interpro/) integrates together
predictive models or 'signatures' representing protein domains, families and functional sites …