Terminal sialic acids on CD44 N-glycans can block hyaluronan binding by forming competing intramolecular contacts with arginine sidechains

Biosynthesis and function of chondroitin sulfate

(2013) Tadahisa Mikami et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

CD44 Receptor Unfolding Enhances Binding by Freeing Basic Amino Acids to Contact Carbohydrate Ligand

(2013) Amanda J. Favreau et al.   BIOPHYSICAL JOURNAL

Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling

(2013) Sunhwan Jo et al.   PLoS Computational Biology

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Chondroitin Sulfate in Solution: Effects of Mono- and Divalent Salts

(2012) Ferenc Horkay et al.   MACROMOLECULES

Glycan fragment database: a database of PDB-based glycan 3D structures

(2012) Sunhwan Jo et al.   NUCLEIC ACIDS RESEARCH

Glycosylation Affects Ligand Binding and Function of the Activating Natural Killer Cell Receptor 2B4 (CD244) Protein

(2011) Stefanie Margraf-Schönfeld et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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

Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins

(2011) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mechanism of Binding Site Conformational Switching in the CD44–Hyaluronan Protein–Carbohydrate Binding Interaction

(2011) Francis W. Jamison et al.   JOURNAL OF MOLECULAR BIOLOGY

Molecular insight into substrate recognition by human cytosolic sialidase NEU2

(2011) Alessandra Mozzi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Cell migration—The role of integrin glycosylation

(2010) Marcelina E. Janik et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Two-State Conformations in the Hyaluronan-Binding Domain Regulate CD44 Adhesiveness under Flow Condition

(2010) Shinji Ogino et al.   STRUCTURE

Hyaluronan-CD44 Interactions in Cancer: Paradoxes and Possibilities

(2009) B. P. Toole   CLINICAL CANCER RESEARCH

Sialic acids as regulators of molecular and cellular interactions

(2009) Roland Schauer   CURRENT OPINION IN STRUCTURAL BIOLOGY

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables

(2009) Jérome Hénin et al.   Journal of Chemical Theory and Computation

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adaptive Regulation at the Cell Surface byN-Glycosylation

(2009) James W. Dennis et al.   TRAFFIC

Sialylation of  1 Integrins Blocks Cell Adhesion to Galectin-3 and Protects Cells against Galectin-3-induced Apoptosis

(2008) Y. Zhuo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A Mechanism of Sialylation Functionally Silences the Hyaluronan Receptor LYVE-1 in Lymphatic Endothelium

(2008) Thomas D. Nightingale et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Adaptive biasing force method for scalar and vector free energy calculations

(2008) Eric Darve et al.   JOURNAL OF CHEMICAL PHYSICS

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CD44 Engagement Promotes Matrix-Derived Survival through the CD44-SRC-Integrin Axis in Lipid Rafts

(2008) J.-L. Lee et al.   MOLECULAR AND CELLULAR BIOLOGY