Web site of the bioinsilico.org

Recent News

August 2022. Overdue update of information Find out more ...
March 2021. Overdue update of information Find out more ...
April 2019. New publication. Find out more ...
February 2019. New publication. Find out more ...
November 2018. New publication. Find out more ...
August 2018. New publication. Find out more ...
July 2018. New PhD in da house and others. Find out more ...
February 2018. Upgrading of systems. Find out more ...
February 2017. Congrats to Stefani. Find out more ...
December 2016. One more before the end of the year. Find out more ...
November 2016. New publication. Find out more ...
July 2016. Belated welcome to Alexis. Find out more ...
July 2016. A bumper month. Find out more ...
June 2016. New publication. Find out more ...
June 2016. Updates on Frag'R'Us and ArchPRED libraries. Find out more ...
May 2016. New publication. Find out more ...

Databases

CAPS-DB CAPS-DB is a structural classification of helix capping motifs or CAPS compiled from protein structures. Nt and Ct capping motifs have been grouped into structural clusters using a computational method designed to this purpose. Briefly, caps were structurally clustered by using geometrical descriptors and comparing of the main chain phi/psi angles. The RMSD (Root Mean Square Deviation) of C-alpha atoms was used to assess the quality of the clusters. Clusters are organized into a fully browsable tree-like hierarchical model that includes the type of capping (Nt or Ct), geometry and conformation.

PCRPi-DB is a repository of annotated hot spots in protein interfaces using PCRPi , a computational method designed to predict critical or hot spot residues in protein interfaces by combining structural, evolutionary and energy-based information. Hot spots have been annotated in any protein complexes for which the 3D-structure is known, are deposited in the PDB databank, and are solved with a crystal resolution better than 3 Ang. PCRPi-DB is weekly updated.

ArchDB is a compilation of structural classifications of loops extracted from protein structures. Currently, ArchDB contains more than 100,000 loops classified into more than 10,000 subclasses. ArchDB have been successfully applied in structure prediction of loops and functional annotation of proteins. The database provides an easy way to retrieve functional information from protein structures sharing a common motif, to search motifs found in a given SCOP family, superfamily or fold, search for templates to model loop structures, and search for functional loops.