Dependence of pyranose ring puckering on anomeric configuration: methyl idopyranosides (Q34266245)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22577942%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

title

Dependence of pyranose ring puckering on anomeric configuration: methyl idopyranosides (English)

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1 February 2020

6

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1 February 2020

author name string

Benedict M Sattelle

1

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1 February 2020

Bidisha Bose-Basu

2

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1 February 2020

Matthew Tessier

3

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1 February 2020

Robert J Woods

4

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1 February 2020

Anthony S Serianni

5

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1 February 2020

language of work or name

English

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publication date

23 May 2012

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Journal of Physical Chemistry B

1 February 2020

published in

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volume

116

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issue

22

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1 February 2020

page(s)

6380-6386

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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

1 February 2020

cites work

1 reference

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Is N-acetyl-D-glucosamine a rigid 4C1 chair?

6 July 2018

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Molecular dynamics-based approaches for enhanced sampling of long-time, large-scale conformational changes in biomolecules

6 July 2018

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High-throughput all-atom molecular dynamics simulations using distributed computing.

6 July 2018

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DFTMD studies of glucose and epimers: anomeric ratios, rotamer populations, and hydration energies

6 July 2018

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Lessons learned from the contamination of heparin

6 July 2018

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Glycans: bioactive signals decoded by lectins.

6 July 2018

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GLYCAM06: a generalizable biomolecular force field. Carbohydrates

6 July 2018

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The Amber biomolecular simulation programs

6 July 2018

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Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

6 July 2018

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Hydration of the amylopectin branch point. Evidence of restricted conformational diversity of the alpha-(1-->6) linkage

6 July 2018

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Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

6 July 2018

1 reference

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A hydration study of (1-->4) and (1-->6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR.

6 July 2018

1 reference

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Conformation of heparin pentasaccharide bound to antithrombin III

6 July 2018

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Solvent interactions determine carbohydrate conformation

6 July 2018

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ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale.

6 July 2018

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Assigning kinetic 3D-signatures to glycocodes

28 October 2018

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A new linker for solid-phase synthesis of heparan sulfate precursors by sequential assembly of monosaccharide building blocks.

28 October 2018

1 reference

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Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation

28 October 2018

1 reference

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Free energy landscapes of iduronic acid and related monosaccharides

28 October 2018

1 reference

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Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3377936

Modelling of beta-D-glucopyranose ring distortion in different force fields: a metadynamics study

28 October 2018

1 reference

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An investigation of the pyranose ring interconversion path of alpha-L-idose calculated using density functional theory.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3377936

Sensing or no sensing: can the anomeric effect be probed by a sensing molecule?

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22577942

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JP303183Y

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1 February 2020

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1 February 2020

PubMed publication ID

22577942

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22577942%20AND%20SRC:MED&resulttype=core&format=json