]> BAO BioAssay Ontology Created by: Hande Küçük McGinty, Janice Kranz, Joseph Ostrow, Alex Clark, Yu Lin, Saminda Abeyruwan, Uma Vempati, Kunie Sakurai, Vance Lemmon, Ubbo Visser, John Turner, Stephan Schurer* 11 Jul 2017 2.2.3 Contact: Stephan Schurer stephan dot schurer at gmail dot com 1 1 1 1 1 1 1 1 1 50.0 50.0 80.0 50.0 1 1 1 1 50.0 1 1 1 Opera QEHS 1 50.0 100.0 phosphorylated A quality of an amino acid residue that has a phosphate group attached to it. 1 1 computational structure analysis 2D structure prediction PREDATOR structure prediction PredictProtein structure prediction 3D structure prediction computational structure solution computational NMR structure solution computational X-ray structure solution computational electron microscopy structure solution homology modeling Also known as comparative modeling of protein, refers to constructing an atomic-resolution model of the "target" protein from its amino acid sequence and an experimental three-dimensional structure of a related homologous protein (the "template"). MODELLER homology modeling SwissModel homology modeling protein threading A method of computational protein structure prediction used for protein sequences which have the same fold as proteins of known structures but do not have homologous proteins with known structure. RAPTOR protein threading protein threading software used for protein structure prediction, given a primary sequence. protein-protein docking global range molecular matching structure alignment Structural alignment software attempts to establish equivalences between two or more polymer structures based on their shape and three-dimensional conformation. distance matrix alignment DALI breaks the input structures into hexapeptide fragments and calculates a distance matrix by evaluating the contact patterns between successive fragments. matching molecular models obtained from theory quantitative structure activity relationship analysis Mathematical relationships linking chemical structure and pharmacological activity in a quantitative manner for a series of compounds. Methods which can be used in QSAR include various regression and pattern recognition techniques. linear QSAR partial least squares QSAR regression QSAR non-linear QSAR neural network QSAR recursive partitioning QSAR three dimensional QSAR Involves the analysis of the quantitative relationship between the biological activity of a set of compounds and their three- dimensional properties using statistical correlation methods. comparative molecular field analysis A 3D-QSAR method that uses statistical correlation techniques for the analysis of the quantitative relationship between the biological activity of a set of compounds with a specified alignment, and their three-dimensional electronic and steric properties. comparative molecular similarity indices analysis self organizing molecular field analysis two dimensional QSAR Cellomics ArrayScan IN Cell Analyzer 1 0.0 90.0 1 1