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, Nicolette Ross, Joan Glenny-Pescov, Jiaming Hu, Caty Chung, Stephan Schurer*
Contact: Stephan Schurer schurer at med dot miami dot edu
A quality of an amino acid residue that has a phosphate group attached to it.
computational electron microscopy structure solution
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").
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.
protein threading software used for protein structure prediction, given a primary sequence.
Structural alignment software attempts to establish equivalences between two or more polymer structures based on their shape and three-dimensional conformation.
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
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.
quantitative structure activity relationship analysis
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.
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