Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff

Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11

(2013) Matthew B. Tessier et al.   PLoS One

Conformational analysis of cellobiose by electronic structure theories

(2012) Alfred D. French et al.   CARBOHYDRATE RESEARCH

Fine specificity and cross-reactions of monoclonal antibodies to group B streptococcal capsular polysaccharide type III

(2012) Seth H. Pincus et al.   VACCINE

CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

(2011) Olgun Guvench et al.   Journal of Chemical Theory and Computation

A glycobiology review: Carbohydrates, lectins and implications in cancer therapeutics

(2010) Haike Ghazarian et al.   ACTA HISTOCHEMICA

Peptide inhibitors of xenoreactive antibodies mimic the interaction profile of the native carbohydrate antigens

(2010) Mark Agostino et al.   BIOPOLYMERS

Computational glycoscience: characterizing the spatial and temporal properties of glycans and glycan–protein complexes

(2010) Robert J Woods et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Identification of preferred carbohydrate binding modes in xenoreactive antibodies by combining conformational filters and binding site maps

(2010) M. Agostino et al.   GLYCOBIOLOGY

Correction: 1,25-Dihydroxyvitamin D3Inhibits the Differentiation and Migration of TH17 Cells to Protect against Experimental Autoimmune Encephalomyelitis

(2010) Jae-Hoon Chang et al.   PLoS One

Fpocket: An open source platform for ligand pocket detection

(2009) Vincent Le Guilloux et al.   BMC BIOINFORMATICS

Molecular Docking of Carbohydrate Ligands to Antibodies: Structural Validation against Crystal Structures

(2009) Mark Agostino et al.   Journal of Chemical Information and Modeling

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Crystal structure of an anti-ganglioside antibody, and modelling of the functional mimicry of its NeuGc-GM3 antigen by an anti-idiotypic antibody

(2009) Ariel Talavera et al.   MOLECULAR IMMUNOLOGY

From carbohydrate leads to glycomimetic drugs

(2009) Beat Ernst et al.   NATURE REVIEWS DRUG DISCOVERY

Docking and molecular dynamics studies on the stereoselectivity in the enzymatic synthesis of carbohydrates

(2009) Natércia F. Brás et al.   THEORETICAL CHEMISTRY ACCOUNTS

The Conformational Properties of Methyl α-(2,8)-Di/Trisialosides and TheirN-Acyl Analogues: Implications for Anti-Neisseria meningitidisB Vaccine Design†

(2008) Austin B. Yongye et al.   BIOCHEMISTRY

Supplier-dependent antiglycan monoclonal antibody specificities: Comment on "High-throughput carbohydrate microarray profiling of 27 antibodies demonstrates widespread specificity problems"

(2008) J. Gildersleeve et al.   GLYCOBIOLOGY

A Gibbs free energy correlation for automated docking of carbohydrates

(2007) Anthony D. Hill et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY