DesertSci is pleased to announce the release of its newest product, FELIX – powerful new software for researchers who wish to search and explore non-covalent interactions in protein-ligand data.
FELIX matches query fingerprints against data derived from protein-ligand crystal structure data, as stored in the Proasis database.
For searching interactions, DesertSci’s ViewContacts software is used to find and classify all close-contacts between ligands and proteins, with this information stored as vectors to facilitate fast matching.
FELIX also stores information about the kinase ATP binding site into its vectors, enabling kinase specific queries.
Additionally, all pair-wise distances between residues around a ligand are computed and stored, enabling residue-residue distance constraints to be included into queries.
DesertSci’s Scorpion software, for computing atom based ligand affinity scores, is also incorporated into FELIX. Storing ligand affinity scores enables hits to be sorted by atom-based binding affinities, a unique feature of FELIX.
FELIX searches are very fast, usually less than a few seconds and the software offers a broad range of powerful search possibilities.