Molecular docking of carbohydrate ligands to antibodies: Structural validation against crystal structures

QR Code

Molecular docking of carbohydrate ligands to antibodies: Structural validation against crystal structures

Cell surface glycoproteins play vital roles in cellular homeostasis and disease. Antibody recognition of glycosylation on different cells and pathogens is critically important for immune surveillance. Conversely, adverse immune reactions resulting from antibody-carbohydrate interactions have been im...

Full description

Bibliographic Details
Main Authors:	Agostillo, M., Jene, C., Boyle, T., Ramsland, Paul, Yuriev, E.
Format:	Journal Article
Published:	American Chemical Society 2009
Online Access:	http://hdl.handle.net/20.500.11937/34925

Similar Items

Antibody-ligand docking: Insights into peptide-carbohydrate mimicry
by: Yuriev, E., et al.
Published: (2008)

Antibody-Carbohydrate Recognition from Docked Ensembles Using the AutoMap Procedure.
by: Dingjan, T., et al.
Published: (2015)

Docking of carbohydrates into protein binding sites
by: Agostino, Mark, et al.
Published: (2012)

Structural biology of antibody recognition of carbohydrate epitopes and potential uses for targeted cancer immunotherapies
by: Dingjan, T., et al.
Published: (2014)

In silico analysis of antibody-carbohydrate interactions and its application to xenoreactive antibodies
by: Agostino, Mark, et al.
Published: (2009)

Latest developments in molecular docking: 2010-2011 in review
by: Yuriev, E., et al.
Published: (2013)

Carbohydrates in cyberspace
by: Yuriev, E., et al.
Published: (2015)

Structural biology of carbohydrate xenoantigens
by: Yuriev, E., et al.
Published: (2009)

Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
by: Yuriev, E., et al.
Published: (2015)

Peptide inhibitors of xenoreactive antibodies mimic the interaction profile of the native carbohydrate antigens
by: Agostino, Mark, et al.
Published: (2011)

Identification of preferred carbohydrate binding modes in xenoreactive antibodies by combining conformational filters and binding site maps
by: Agostino, Mark, et al.
Published: (2010)

Carbohydrate-mimetic peptides: structural aspects of mimicry and therapeutic implications
by: Agostino, Mark, et al.
Published: (2011)

Structural glycobiology of antibody recognition in xenotransplantation and cancer immunotherapy
by: Agostino, Mark, et al.
Published: (2012)

Challenges and advances in computational docking: 2009 in review
by: Yuriev, E., et al.
Published: (2011)

A computational approach for exploring carbohydrate recognition by lectins in innate immunity
by: Agostino, Mark, et al.
Published: (2011)

Reply to 'response to Milland et al.: Carbohydrate residues downstream of the terminal gala(1,3)gal epitope modulate the specificity of xenoreactive antibodies'
by: Milland, J., et al.
Published: (2008)

A possible role for metallic ions in the carbohydrate cluster recognition displayed by a lewis Y specific antibody
by: Farrugia, W., et al.
Published: (2009)

Antibody Recognition of Cancer-Related Gangliosides and Their Mimics Investigated Using in silico Site Mapping
by: Agostino, Mark, et al.
Published: (2012)

Crystal structure of heterodonor ligands with their potential application
by: How, Fiona Ni Foong, et al.
Published: (2012)

The carbohydrate-binding promiscuity of Euonymus europaeus lectin is predicted to involve a single binding site
by: Agostino, Mark, et al.
Published: (2015)

Studies on carbohydrate xenoantigens
by: Christiansen, D., et al.
Published: (2012)

AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes
by: Agostino, Mark, et al.
Published: (2013)

Ligand-protein docking with water molecules
by: Roberts, Benjamin, et al.
Published: (2008)

Molecular properties of human IgG subclasses and their implications for designing therapeutic monoclonal antibodies against infectious diseases
by: Irani, V., et al.
Published: (2015)

Ligand-protein cross-docking with water molecules
by: Thilagavathi, R., et al.
Published: (2010)

Molecular docking
by: Abduallah Alsafi, Hassen Mohammed, et al.
Published: (2011)

Structural glycobiology: applications in organ transplantation
by: Christiansen, D., et al.
Published: (2012)

Molecular Docking And Molecular Dynamics Of 3-O-Octanoylcatechin Interactions Against Aldose Reductase
by: Soib’, Shikin Faezah
Published: (2019)

Inhibition of nitric oxide and prostaglandin E2 production by pyrrolylated-chalcones: synthesis, biological activity, crystal structure analysis, and molecular docking studies
by: Mohd Faudzi, Siti Munirah, et al.
Published: (2020)

Inhibition of nitric oxide and prostaglandin E2 production by pyrrolylated-chalcones : synthesis, biological activity, crystal structure analysis, and molecular docking studies
by: Siti Munirah, Mohd Faudzi, et al.
Published: (2020)

Inhibition of nitric oxide and prostaglandin E2 production by pyrrolylated-chalcones: synthesis, biological activity, crystal structure analysis, and molecular docking studies
by: Mohd Faudzi, Siti Munirah, et al.
Published: (2020)

Network pharmacology and molecular docking approaches of Astaxanthin (ATX) against atherosclerosis
by: Barizi, Anis Zuhaida Mamnun, et al.
Published: (2024)

In silico analysis, structural modelling and molecular docking of putative Klebsiella pneumoniae choline kinase
by: Albaskeni, Abdulrhman Mahmoud
Published: (2021)

Crystal structure of signal regulatory protein gamma (SIRPγ) in complex with an antibody Fab fragment
by: Nettleship, Joanne E., et al.
Published: (2013)

Molecular phylogeny, 3D-structural insights, docking and mechanisms of action of plant beta-galactosidases
by: Md. Anowar, Hossain, et al.
Published: (2016)

Structural and computational analysis of a nickel(II) complex with S-benzyldithiocarbazate Schiff base ligand: synthesis, x-ray crystallography, MEP, HOMO-LUMO, Hirshfeld surface analysis, and molecular docking
by: Mohamed Tahir, Mohamed Ibrahim, et al.
Published: (2025)

SSGARL: hybrid evolutionary computation and reinforcement learning for flexible ligand docking
by: Marlisah, Erzam, et al.
Published: (2014)

Therapeutic antibodies: Discovery, design and deployment
by: Ramsland, Paul, et al.
Published: (2015)

Network pharmacology and molecular docking analysis of active compounds in Tualang honey against atherosclerosis
by: Shamsol Azman, Ain Nabila Syahira, et al.
Published: (2023)

Molecular modelling of the interactions of complex carbohydrates with proteins
by: Gandhi, Neha Sureshchandra
Published: (2011)