Computational Algorithms for Protein Structures and Interactions

Inria, CNRS, University of Lorraine




Univeristè de Lorraine


  • Hex — ultra-fast protein-protein docking using spherical polar FFT

  • Sam — protein symmetry assembler using spherical polar FFT

  • Kbdock — database of protein domain-domain interactions

  • Kpax — multiple flexible protein structure alignments

  • ECDomainMiner — associating Pfam domains with enzyme EC numbers

  • Intelligo — Gene Ontology semantic similarity measure

  • gEMtools — cryo-EM particle picking and 3D density fitting

  • 3Dblast — FFT-based protein shape comparison

  • CGC — High order Clebsch-Gordan coupling coefficients

  • Parafit — small molecule virtual drug screening (contact Dave Ritchie)