Conformational Dynamics of a Central Trisaccharide Fragment of the LeaLex Tumor Associated Antigen Studied by NMR Spectroscopy and Molecular Dynamics Simulations

Conformational properties of two exopolysaccharides produced by Inquilinus limosus, a cystic fibrosis lung pathogen

(2012) Michelle Kuttel et al.   CARBOHYDRATE RESEARCH

Conformational flexibility of the pentasaccharide LNF-2 deduced from NMR spectroscopy and molecular dynamics simulations

(2012) Elin Säwén et al.   ORGANIC & BIOMOLECULAR 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

Molecular Conformations in the Pentasaccharide LNF-1 Derived from NMR Spectroscopy and Molecular Dynamics Simulations

(2011) Elin Säwén et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Development of the CHARMM Force Field for Lipids

(2011) R. W. Pastor et al.   Journal of Physical Chemistry Letters

NMR analysis of conformationally dependent nJC, H and nJC, C in the trisaccharide α-L-Rhap-(1 → 2)[α-L-Rhap-(1 → 3)]-α-L-Rhap-OMe and a site-specifically labeled isotopologue thereof

(2011) K. Hanna M. Jonsson et al.   MAGNETIC RESONANCE IN CHEMISTRY

Synthesis of LeaLex oligosaccharide fragments and efficient one-step deprotection

(2010) An Wang et al.   CARBOHYDRATE RESEARCH

N-Acetyl Side-Chains in Saccharides: NMRJ-Coupling Equations Sensitive to CH−NH and NH−CO Bond Conformations in 2-Acetamido-2-deoxy-aldohexopyranosyl Rings

(2010) Xiaosong Hu et al.   JOURNAL OF ORGANIC CHEMISTRY

Comparing Simulated and Experimental Translation and Rotation Constants: Range of Validity for Viscosity Scaling

(2010) Richard M. Venable et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Population distribution of flexible molecules from maximum entropy analysis using different priors as background information: application to the ϕ, ψ-conformational space of the α-(1→2)-linked mannose disaccharide present in N- and O-linked glycoproteins

(2010) Elin Säwén et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Computational Study of the Conformational Structures of Saccharides in Solution Based on J Couplings and the “Fast Sugar Structure Prediction Software”

(2009) Junchao Xia et al.   BIOMACROMOLECULES

The flexibility of the LeaLex Tumor Associated Antigen central fragment studied by systematic and stochastic searches as well as dynamic simulations

(2009) Trudy A. Jackson et al.   BIOORGANIC & MEDICINAL CHEMISTRY

CHARMM: The biomolecular simulation program

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