Extension and validation of the GLYCAM force field parameters for modeling glycosaminoglycans (Q33778115)

29 July 2017

title

Extension and validation of the GLYCAM force field parameters for modeling glycosaminoglycans (English)

1 reference

29 July 2017

1 reference

Geert-Jan Boons

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Arunima Singh

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29 July 2017

Matthew B Tessier

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29 July 2017

Kari Pederson

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29 July 2017

Xiaocong Wang

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29 July 2017

Andre P Venot

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29 July 2017

James H Prestegard

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29 July 2017

Robert J Woods

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29 July 2017

language of work or name

English

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publication date

9 February 2016

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Canadian Journal of Chemistry

29 July 2017

published in

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29 July 2017

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29 July 2017

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29 July 2017

page(s)

927-935

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The Interaction of Heparin Tetrasaccharides with Chemokine CCL5 Is Modulated by Sulfation Pattern and pH

29 July 2017

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4 July 2018

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Extension of the GLYCAM06 Biomolecular Force Field to Lipids, Lipid Bilayers and Glycolipids

4 July 2018

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4 July 2018

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Improved side-chain torsion potentials for the Amber ff99SB protein force field

4 July 2018

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Can current force fields reproduce ring puckering in 2-O-sulfo-alpha-L-iduronic acid? A molecular dynamics simulation study

4 July 2018

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A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation

4 July 2018

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Residual dipolar coupling investigation of a heparin tetrasaccharide confirms the limited effect of flexibility of the iduronic acid on the molecular shape of heparin

4 July 2018

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On achieving experimental accuracy from molecular dynamics simulations of flexible molecules: aqueous glycerol

4 July 2018

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4 July 2018

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GLYCAM06: a generalizable biomolecular force field. Carbohydrates

4 July 2018

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Conformational studies on five octasaccharides isolated from chondroitin sulfate using NMR spectroscopy and molecular modeling

4 July 2018

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Interactions between heparan sulfate and proteins: the concept of specificity

4 July 2018

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Sulfation patterns of glycosaminoglycans encode molecular recognition and activity

4 July 2018

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Structural insights into biological roles of protein-glycosaminoglycan interactions

4 July 2018

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4 July 2018

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4 July 2018

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Exploring protein native states and large-scale conformational changes with a modified generalized born model

4 July 2018

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The Cambridge Structural Database: a quarter of a million crystal structures and rising

4 July 2018

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4 July 2018

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Functions of cell surface heparan sulfate proteoglycans

21 January 2018

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4 July 2018

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Conformational changes and anticoagulant activity of chondroitin sulfate following its O-sulfonation

4 July 2018

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NMR solution conformation of heparin-derived hexasaccharide

4 July 2018

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Microbial adherence to and invasion through proteoglycans

4 July 2018

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4 July 2018

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N.m.r. and molecular-modelling studies of the solution conformation of heparin

4 July 2018

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Dynamics in aqueous solutions of the pentasaccharide corresponding to the binding site of heparin for antithrombin III studied by NMR relaxation measurements

4 July 2018

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Conformer populations of L-iduronic acid residues in glycosaminoglycan sequences

4 July 2018

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4 July 2018

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Does microsecond sugar ring flexing encode 3D-shape and bioactivity in the heparanome?

4 July 2018

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CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

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Studies on the Conformation of Heparin by1H and13C NMR Spectroscopy

21 January 2018

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21 January 2018

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Dermatan sulphate is released by proteinases of common pathogenic bacteria and inactivates antibacterial alpha-defensin

21 January 2018

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12 December 2020

Conformational study of synthetic delta 4-uronate monosaccharides and glycosaminoglycan-derived disaccharides

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12 December 2020

Synthesis and structural study of two new heparin-like hexasaccharides

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The effect of variation of substitution on the solution conformation of heparin: a spectroscopic and molecular modelling study

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12 December 2020

Identifiers

DOI

10.1139/CJC-2015-0606

1 reference

29 July 2017

1 reference

29 July 2017

1 reference