Figure_5.tif (1.54 MB)
Energy maps and docked conformations.
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posted on 2013-08-19, 03:50 authored by Jeremie Topin, Julie Arnaud, Anita Sarkar, Aymeric Audfray, Emilie Gillon, Serge Perez, Helene Jamet, Annabelle Varrot, Anne Imberty, Aline ThomasIsoenergy contrours (1 kcal/mole) are represented as a function of Φ (x-axis) and Ψ (y-axis)torsion angles for all glycosidic linkages of interest taken from Glyco3D (http://glyco3d.cermav.cnrs.fr/) with superimposition of oligosaccharide conformations derived from docking (circles and squares) or protein crystallography (stars). Torsion angles are defined as Φ = θ(O5-C1-O1-Cx) and Ψ = θ(C1-O1-C′x-C′x+1).
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Biochemistryproteinsprotein structureBiochemistry simulationsBiomacromolecule-ligand interactionsglycobiologybiophysicsBiophysics simulationsComputational biologygenomicsStructure predictionMacromolecular structure analysisBiochemical simulationsBiophysic al simulationsmicrobiologyHost-pathogen interactioncomputational chemistryMolecular mechanicsInfectious diseasesBacterial diseasesBurkholderia infectionPseudomonas infectionsmapsdocked
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