Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff.
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Investigation of Carbohydrate Recognition via Computer SimulationNuclear Magnetic Resonance Insight into the Multiple Glycosaminoglycan Binding Modes of the Link Module from Human TSG-6Recent H3N2 Viruses Have Evolved Specificity for Extended, Branched Human-type Receptors, Conferring Potential for Increased Avidity.Three mutations switch H7N9 influenza to human-type receptor specificity.Combining 3D structure with glycan array data provides insight into the origin of glycan specificityPredicting the Origins of Anti-Blood Group Antibody Specificity: A Case Study of the ABO A- and B-Antigens.Recent advances in employing molecular modelling to determine the specificity of glycan-binding proteins.Impact of sulfation pattern on the conformation and dynamics of sulfated fucan oligosaccharides as revealed by NMR and MDThe Interaction of Heparin Tetrasaccharides with Chemokine CCL5 Is Modulated by Sulfation Pattern and pHCharacterization of Aspartate Kinase from Corynebacterium pekinense and the Critical Site of Arg169.Integrated Omics and Computational Glycobiology Reveal Structural Basis for Influenza A Virus Glycan Microheterogeneity and Host Interactions.Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking.Residue-centric modeling and design of saccharide and glycoconjugate structures.Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures.The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.The Tetrameric Plant Lectin BanLec Neutralizes HIV through Bidentate Binding to Specific Viral Glycans.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Applying pose clustering and MD simulations to eliminate false positives in molecular docking.Insights into the structure and dynamics of lysyl oxidase propeptide, a flexible protein with numerous partners
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Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 29 December 2013
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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Importance of ligand conformat ...... ting the wheat from the chaff.
@en
Importance of ligand conformat ...... ting the wheat from the chaff.
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label
Importance of ligand conformat ...... ting the wheat from the chaff.
@en
Importance of ligand conformat ...... ting the wheat from the chaff.
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Importance of ligand conformat ...... ting the wheat from the chaff.
@en
Importance of ligand conformat ...... ting the wheat from the chaff.
@nl
P2093
P2860
P356
P1476
Importance of ligand conformat ...... ting the wheat from the chaff.
@en
P2093
Anita K Nivedha
Bethany Lachele Foley
Matthew B Tessier
Robert J Woods
Spandana Makeneni
P2860
P304
P356
10.1002/JCC.23517
P577
2013-12-29T00:00:00Z