CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses (Q33531681)

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18 January 2020

title

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

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18 January 2020

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5

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18 January 2020

author name string

Olgun Guvench

1

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18 January 2020

Elizabeth R Hatcher

2

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18 January 2020

Richard M Venable

3

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18 January 2020

Richard W Pastor

4

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18 January 2020

publication date

1 August 2009

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Journal of Chemical Theory and Computation

18 January 2020

published in

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18 January 2020

volume

5

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18 January 2020

issue

9

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18 January 2020

page(s)

2353-2370

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

18 January 2020

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1 reference

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CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates and Inositol

21 June 2018

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CHARMM: the biomolecular simulation program

21 June 2018

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Additive empirical force field for hexopyranose monosaccharides

21 June 2018

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Automated conformational energy fitting for force-field development.

21 June 2018

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GLYCAM06: a generalizable biomolecular force field. Carbohydrates

21 June 2018

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Ab initio modeling of glycosyl torsions and anomeric effects in a model carbohydrate: 2-ethoxy tetrahydropyran.

21 June 2018

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

21 June 2018

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21 June 2018

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Molecular dynamics simulations of an oligosaccharide using a force field modified for carbohydrates.

21 June 2018

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

21 June 2018

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21 June 2018

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Canonical dynamics: Equilibrium phase-space distributions

31 October 2018

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Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies

21 June 2018

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Conformational analysis of beta-glycosidic linkages in 13C-labeled glucobiosides using inter-residue scalar coupling constants.

21 June 2018

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A new GROMOS force field for hexopyranose-based carbohydrates

31 October 2018

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The external-anomeric torsional effect

31 October 2018

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Volumetric behaviour of maltose-water, maltose-glycerol and starch-sorbitol-water systems mixtures in relation to structural relaxation

31 October 2018

1 reference

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Alcohols, ethers, carbohydrates, and related compounds. IV. Carbohydrates

31 October 2018

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The SPASIBA force field as an essential tool for studying the structure and dynamics of saccharides

31 October 2018

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Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties.

31 October 2018

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Computational studies on carbohydrates: in vacuo studies using a revised AMBER force field, AMB99C, designed for alpha-(1-->4) linkages

31 October 2018

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12 December 2020

Quantum Mechanical Analysis of 1,2-Ethanediol Conformational Energetics and Hydrogen Bonding

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12 December 2020

A molecular mechanical force field for the conformational analysis of oligosaccharides: comparison of theoretical and crystal structures of Man alpha 1-3Man beta 1-4GlcNAc

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12 December 2020

Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers

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12 December 2020

Conformational analysis and molecular dynamics simulations of maltose

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12 December 2020

Identifiers

DOI

10.1021/CT900242E

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20161005%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

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18 January 2020

PubMed publication ID

20161005

1 reference