(Q28346152)

5 July 2017

title

Carbohydrate-protein recognition: molecular dynamics simulations and free energy analysis of oligosaccharide binding to concanavalin A. (English)

1 reference

molecular dynamics simulation

5 July 2017

0 references

0 references

1 reference

Bryce RA

1

1 reference

5 July 2017

Hillier IH

series ordinal

2

1 reference

5 July 2017

Naismith JH

series ordinal

3

1 reference

5 July 2017

language of work or name

English

0 references

publication date

1 September 2001

1 reference

5 July 2017

1 reference

5 July 2017

volume

81

1 reference

5 July 2017

issue

3

1 reference

5 July 2017

page(s)

1373-1388

1 reference

The crystal structures of Man(alpha1-3)Man(alpha1-O)Me and Man(alpha1-6)Man(alpha1-O)Me in complex with concanavalin A

5 July 2017

cites work

1 reference

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Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition

20 March 2017

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Concanavalin A distorts the beta-GlcNAc-(1-->2)-Man linkage of beta-GlcNAc-(1-->2)-alpha-Man-(1-->3)-[beta-GlcNAc-(1-->2)-alpha-Man- (1-->6)]-Man upon binding

20 March 2017

1 reference

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A structure of the complex between concanavalin A and methyl-3,6-di-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranoside reveals two binding modes

20 March 2017

1 reference

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Structural basis of lectin-carbohydrate recognition

20 March 2017

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Structural basis of trimannoside recognition by concanavalin A

20 March 2017

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20 March 2017

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Relative energies of binding for antibody-carbohydrate-antigen complexes computed from free-energy simulations

7 April 2017

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Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models

29 September 2017

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Structure/thermodynamics relationships of lectin-saccharide complexes: the Erythrina corallodendron case

29 September 2017

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The high degree of internal flexibility observed for an oligomannose oligosaccharide does not alter the overall topology of the molecule

29 September 2017

1 reference

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MoMuLV proviral integrations identified by Sup-F selection in tumors from infected myc/pim bitransgenic mice correlate with activation of the gfi-1 gene

29 September 2017

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Computational methods to predict binding free energy in ligand-receptor complexes

29 September 2017

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Thermodynamics of lectin-carbohydrate interactions. Titration microcalorimetry measurements of the binding of N-linked carbohydrates and ovalbumin to concanavalin A.

29 September 2017

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The role of lectins in plant defence.

29 September 2017

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The structure of the saccharide-binding site of concanavalin A.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301617

Data bank of three-dimensional structures of disaccharides: Part II, N-acetyllactosaminic type N-glycans. Comparison with the crystal structure of a biantennary octasaccharide

29 September 2017

1 reference

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Selectins: interpreters of cell-specific carbohydrate information during inflammation

29 September 2017

1 reference

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Energetics of lectin-carbohydrate binding. A microcalorimetric investigation of concanavalin A-oligomannoside complexation

29 September 2017

1 reference

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Use of MM-PB/SA in estimating the free energies of proteins: application to native, intermediates, and unfolded villin headpiece

29 September 2017

1 reference

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Structure and thermodynamics of RNA-protein binding: using molecular dynamics and free energy analyses to calculate the free energies of binding and conformational change

2 June 2018

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Mouse acetylcholinesterase unliganded and in complex with huperzine A: a comparison of molecular dynamics simulations

2 June 2018

1 reference

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Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301617

Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.

27 November 2018

1 reference

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MAVIS: an interactive visualization tool for computational chemistry calculations in a distributed networked environment.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1301617

Specific deuteration of a trimannoside confirms the existence of a disputed interresidue nuclear Overhauser enhancement

27 November 2018

1 reference

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Molecular dynamics with coupling to an external bath

27 November 2018

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Solution conformation of alpha D(1-3)- and alpha D(1-6)-linked oligomannosides using proton nuclear magnetic resonance

7 January 2021

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Reevaluation of rotamer populations for 1,6 linkages: reconciliation with potential energy calculations

7 January 2021

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

7 January 2021

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On the Meaning of Affinity: Cluster Glycoside Effects and Concanavalin A

7 January 2021

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Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

7 January 2021

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https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Tertiary structure in N-linked oligosaccharides

7 January 2021

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Comparison of simple potential functions for simulating liquid water

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Concanavalin A distorts the -GlcNAc-(1->2)-Man linkage of -GlcNAc-(1->2)- -Man-(1->3)-[ -GlcNAc-(1->2)- -Man-(1->6)]-Man upon binding

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Man 1-2 Man -OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Lectins: Carbohydrate-Specific Proteins That Mediate Cellular Recognition

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Semianalytical treatment of solvation for molecular mechanics and dynamics

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

Thermodynamics of monosaccharide binding to concanavalin A, pea (Pisum sativum) lectin, and lentil (Lens culinaris) lectin

7 January 2021

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11509352

12 December 2020

inferred from PubMed ID database lookup

Structural heterogeneity of sugar chains in immunoglobulin G. Conformation of immunoglobulin G molecule and substrate specificities of glycosyltransferases

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11509352

12 December 2020

inferred from PubMed ID database lookup

Conserved waters in legume lectin crystal structures. The importance of bound water for the sequence-structure relationship within the legume lectin family

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11509352

12 December 2020

inferred from PubMed ID database lookup

A smooth particle mesh Ewald method

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2801%2975793-1

7 January 2021

inferred from DOI database lookup

Identifiers

DOI

10.1016/S0006-3495(01)75793-1

1 reference

5 July 2017

1 reference

5 July 2017

1 reference