(Q39123482)

9 September 2017

Starting structure dependence of NMR order parameters derived from MD simulations: implications for judging force-field quality (English)

1 reference

9 September 2017

2

1 reference

9 September 2017

Alrun N Koller

1

1 reference

PMC publication ID

2426661

9 September 2017

Holger Gohlke

series ordinal

3

1 reference

PMC publication ID

2426661

9 September 2017

language of work or name

English

0 references

publication date

25 April 2008

1 reference

9 September 2017

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9 September 2017

95

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9 September 2017

1

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9 September 2017

L04-6

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

The Amber biomolecular simulation programs

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Validation of the GROMOS force-field parameter set 45Alpha3 against nuclear magnetic resonance data of hen egg lysozyme.

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

New approaches to the dynamic interpretation and prediction of NMR relaxation data from proteins.

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Molecular dynamics and NMR spin relaxation in proteins

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Flexibility and packing in proteins

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

A refined solution structure of hen lysozyme determined using residual dipolar coupling data

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Molecular dynamics simulation of hen egg white lysozyme: a test of the GROMOS96 force field against nuclear magnetic resonance data

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Dynamics of the Hck-SH3 domain: comparison of experiment with multiple molecular dynamics simulations

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Comparison of MD simulations and NMR experiments for hen lysozyme. Analysis of local fluctuations, cooperative motions, and global changes

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

Characterizing global substates of myoglobin

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2426661

General Framework for Studying the Dynamics of Folded and Nonfolded Proteins by NMR Relaxation Spectroscopy and MD Simulation

21 August 2018

1 reference

12 December 2020

Validation of Molecular Dynamics Simulations of Biomolecules Using NMR Spin Relaxation as Benchmarks: Application to the AMBER99SB Force Field.

1 reference

12 December 2020

NMR Relaxation and Internal Dynamics of Ubiquitin from a 0.2 μs MD Simulation

1 reference

12 December 2020

Structural Determinants of Protein Dynamics: Analysis of 15N NMR Relaxation Measurements for Main-Chain and Side-Chain Nuclei of Hen Egg White Lysozyme

1 reference

12 December 2020

10.1529/BIOPHYSJ.108.132811

Identifiers

DOI

1 reference

9 September 2017

1 reference

9 September 2017

1 reference

PMC publication ID

2426661