title: Handling context-sensitivity in protein structures using graph theory: bona fide prediction.
abstract: We constructed five comparative models in a blind manner for the second meeting on the Critical Assessment of protein Structure Prediction methods (CASP2). The method used is based on a novel graph-theoretic clique-finding approach, and attempts to address the problem of interconnected structural changes in the comparative modeling of protein structures. We discuss briefly how the method is used for protein structure prediction, and detail how it performs in the blind tests. We find that compared to CASP1, significant improvements in building insertions and deletions and sidechain conformations have been achieved.
authors.affiliation: Center for Advanced Research in Biotechnology, University of Maryland Biotechnology Institute, Rockville 20850, USA.
authors.forename: R
authors.initials: R
authors.lastname: Samudrala
authors.forename: J
authors.initials: J
authors.lastname: Moult
mesh_terms: D000595:Amino Acid Sequence; D002135:Calcium-Binding Proteins / Q000737:chemistry; D002480:Cellulase / Q000737:chemistry; D043366:Cellulose 1,4-beta-Cellobiosidase; D003196:Computer Graphics; D008025:Ligases / Q000737:chemistry; D008667:Metalloproteins / Q000737:chemistry; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009419:Nerve Tissue Proteins / Q000737:chemistry; D051596:Neurocalcin; D010940:Plant Proteins / Q000737:chemistry; D011117:Polyribonucleotide Nucleotidyltransferase / Q000737:chemistry; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D044169:Receptors, Calcium-Sensing; D012680:Sensitivity and Specificity; D016415:Sequence Alignment; D044763:Ubiquitin-Conjugating Enzymes; D000098843:Ubiquitin-Conjugating Enzyme UBC9
chemical_list: D002135:Calcium-Binding Proteins; D008667:Metalloproteins; D009419:Nerve Tissue Proteins; D051596:Neurocalcin; D010940:Plant Proteins; D011506:Proteins; D044169:Receptors, Calcium-Sensing; C003343:stellacyanin protein, plant; D044763:Ubiquitin-Conjugating Enzymes; D011117:Polyribonucleotide Nucleotidyltransferase; D002480:Cellulase; D043366:Cellulose 1,4-beta-Cellobiosidase; D008025:Ligases; D000098843:Ubiquitin-Conjugating Enzyme UBC9