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Because protein structures are composed of amino acids whose side chains are linked by a common protein backbone, a number of different possible subsets of the atoms that make up a protein macromolecule can be used in producing a structural alignment and calculating the corresponding RMSD values. When aligning structures with very different ...
Fast and accurate protein structure alignment and visualisation ... "super" command does sequence-independent 3D alignment: Protein: Hybrid: No: ... RCSB PDB Protein ...
BioJava is an open-source software project dedicated to provide Java tools to process biological data. [1] [2] [3] BioJava is a set of library functions written in the programming language Java for manipulating sequences, protein structures, file parsers, Common Object Request Broker Architecture (CORBA) interoperability, Distributed Annotation System (DAS), access to AceDB, dynamic ...
Database of Comparative Protein Structure Models: Ursula Pieper, Ben Webb, Narayanan Eswar, Andrej Sali Roberto Sanchez UCSF, Sali Lab 3D structure protein databases PDBsum: Pictorial database of 3D structures in the Protein Data Bank: European Bioinformatics Institute 2013 Wellcome Trust 3D structure protein databases CCDS
Protein sequence to structure alignment that includes secondary structure, structural conservation, structure-derived sequence profiles, and consensus alignment scores: Protein: Both: D. Chivian & D. Baker [23] 2003 LALIGN Multiple, non-overlapping, local similarity (same algorithm as SIM) Both: Local non-overlapping: W. Pearson: 1991 ...
A unified interface for: Tertiary structure prediction/3D modelling, 3D model quality assessment, Intrinsic disorder prediction, Domain prediction, Prediction of protein-ligand binding residues Automated webserver and some downloadable programs RaptorX: remote homology detection, protein 3D modeling, binding site prediction
It could be used to infer the evolutionary relationship among a set of proteins even with low sequence similarity. Structural alignment implies superimposing a 3D structure over a second one, rotating and translating atoms in corresponding positions (in general, using the C α atoms or even the backbone heavy atoms C, N, O, and C α).
The fourth is a great example of how interactive graphical tools enable a worker involved in sequence analysis to conveniently execute a variety if different computational tools to explore an alignment's phylogenetic implications; or, to predict the structure and functional properties of a specific sequence, e.g., comparative modelling.