CHARMM-GUIGlycan Modelerfor modeling and simulation of carbohydrates and glycoconjugates
نویسندگان
چکیده
منابع مشابه
simulation and experimental studies for prediction mineral scale formation in oil field during mixing of injection and formation water
abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...
Mass Spectrometry Strategies for Structural Analysis of Carbohydrates and Glycoconjugates
Carbohydrates are compounds rich in hydroxyl groups, being a monosaccharide a building block for complex carbohydrates. Beside the large amounts of hydroxyl groups, two chemical functions define the organic class, and even the simplest carbohydrate must contain either an aldehyde (polyhydroxyaldehyde) or ketone (polyhydroxyketone) functions (Fig. 1). Mass spectrometry strategies for structural ...
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CHARMM: The biomolecular simulation program
CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates, and small molecule ligands, as they occur in solution, crystals, and membrane environments. For the stu...
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ژورنال
عنوان ژورنال: Glycobiology
سال: 2019
ISSN: 1460-2423
DOI: 10.1093/glycob/cwz003