Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures

Understanding protein-ligand interactions is a fundamental question in basic biochemistry, and the role played by the solvent along this process is not yet fully understood. This fact is particularly relevant in lectins, proteins that mediate a large variety of biological processes through the recog...

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Detalles Bibliográficos
Autores principales: Modenutti, C., Gauto, D., Radusky, L., Blanco, J., Turjanski, A., Hajos, S., Marti, M.A.
Formato: JOUR
Materias:
carbohydrate
docking
hydration
lectin
Naive Bayes classifier
sites
water sites
oxygen
water
disaccharide
monosaccharide
protein binding
trisaccharide
accuracy
amino acid composition
Article
Bayesian learning
binding site
carbohydrate analysis
crystal structure
crystallography
hydrogen bond
ligand binding
molecular docking
molecular recognition
predictive value
priority journal
protein analysis
protein interaction
protein structure
Bayes theorem
chemical structure
chemistry
conformation
X ray crystallography
Bayes Theorem
Binding Sites
Carbohydrate Conformation
Crystallography, X-Ray
Disaccharides
Lectins
Models, Molecular
Monosaccharides
Protein Binding
Trisaccharides
Water
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_09596658_v25_n2_p181_Modenutti
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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