Sucrose in aqueous solution revisited, Part 2: adaptively biased molecular dynamics simulations and computational analysis of NMR relaxation (Q34068405)

From Wikidata

Jump to navigation Jump to search

scientific article

Language	Label	Description	Also known as
English	Sucrose in aqueous solution revisited, Part 2: adaptively biased molecular dynamics simulations and computational analysis of NMR relaxation	scientific article

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

Sucrose in aqueous solution revisited, Part 2: adaptively biased molecular dynamics simulations and computational analysis of NMR relaxation (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

author name string

David A Case

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

publication date

5 November 2011

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

97

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

5

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

289-302

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

TIP5P-Consistent Treatment of Electrostatics for Biomolecular Simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Sucrose in aqueous solution revisited, Part 1: molecular dynamics simulations and direct and indirect dipolar coupling analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Influence of the coupling of interdomain and overall motions on NMR relaxation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

A tool for the prediction of structures of complex sugars

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Structural glycobiology: a game of snakes and ladders

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

The structural plasticity of heparan sulfate NA-domains and hence their role in mediating multivalent interactions is confirmed by high-accuracy (15)N-NMR relaxation studies.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Evaluating rotational diffusion from protein MD simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

GLYCAM06: a generalizable biomolecular force field. Carbohydrates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

A conformational dynamics study of alpha-l-Rhap-(1-->2)[alpha-l-Rhap-(1-->3)]-alpha-l-Rhap-OMe in solution by NMR experiments and molecular simulations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Dynamic properties of biologically active synthetic heparin-like hexasaccharides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

The utility of residual dipolar couplings in detecting motion in carbohydrates: application to sucrose

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Residual dipolar couplings in structure determination of biomolecules

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Dynamics of the Escherichia coli O91 O-antigen polysaccharide in solution as studied by carbon-13 NMR relaxation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Escaping free-energy minima

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Molecular dynamics and NMR spin relaxation in proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

The diluted aqueous solvation of carbohydrates as inferred from molecular dynamics simulations and NMR spectroscopy.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Interpretation of chemical shifts and coupling constants in macromolecules

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Calculations of NMR dipolar coupling strengths in model peptides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Virtual and solution conformations of oligosaccharides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

5 July 2018

Validation of two conformational searching methods applied to sucrose: simulation of NMR and chiro-optical data

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Sugar Folding: A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 1.

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Computational study of the conformational structures of saccharides in solution based on J couplings and the "fast sugar structure prediction software".

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Replica-exchange molecular dynamics method for protein folding

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Predicting slow structural transitions in macromolecular systems: Conformational flooding

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Adaptively biased molecular dynamics for free energy calculations

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

The missing term in effective pair potentials

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Temperature and size dependence for Monte Carlo simulations of TIP4P water

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Structure, Conformation, and Dynamics of Bioactive Oligosaccharides: Theoretical Approaches and Experimental Validations

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

A QM/MM analysis of the conformations of crystalline sucrose moieties

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Dynamics of hyaluronan oligosaccharides revealed by 15N relaxation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3306822

28 October 2018

Deviations from the simple two-parameter model-free approach to the interpretation of nitrogen-15 nuclear magnetic relaxation of proteins

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Sugar Folding: A Novel Structural Prediction Tool for Oligosaccharides and Polysaccharides 2

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1002%2FBIP.22004

21 January 2018

Conformational flexibility of the group B meningococcal polysaccharide in solution

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The solution conformation of sucrose: concentration and temperature dependence

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

New strategy for the conformational analysis of carbohydrates based on NOE and 13C NMR coupling constants. Application to the flexible polysaccharide of Streptococcus mitis J22

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The use of NMR residual dipolar couplings in aqueous dilute liquid crystalline medium for conformational studies of complex oligosaccharides

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Disaccharide conformational flexibility. II. Molecular dynamics simulations of sucrose

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Disaccharide conformational flexibility. I. An adiabatic potential energy map for sucrose

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Glycobiology: Toward Understanding the Function of Sugars

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Solution conformation and dynamics of a tetrasaccharide related to the Lewis(x) antigen deduced by NMR relaxation measurements

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

(13C)-substituted sucrose: 13C-1H and 13C-13C spin coupling constants to assess furanose ring and glycosidic bond conformations in aqueous solution

1 reference

https://pubmed.ncbi.nlm.nih.gov/22058066

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1002/BIP.22004

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22058066%20AND%20SRC:MED&resulttype=core&format=json

16 January 2020

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q34068405&oldid=1411240939"