(Q30979733)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15630561%20AND%20SRC:MED&resulttype=core&format=json

7 January 2020

title

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

1 reference

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7 January 2020

3

1 reference

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7 January 2020

Thereza A Soares

1

1 reference

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7 January 2020

Xavier Daura

2

1 reference

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7 January 2020

author name string

L J Smith

4

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7 January 2020

W F van Gunsteren

5

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7 January 2020

publication date

1 December 2004

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15630561%20AND%20SRC:MED&resulttype=core&format=json

Journal of Biomolecular NMR

7 January 2020

published in

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7 January 2020

volume

30

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7 January 2020

issue

4

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7 January 2020

page(s)

407-422

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The Key to Solving the Protein-Folding Problem Lies in an Accurate Description of the Denatured State Financial support from the Schweizerischer Nationalfonds (Project no. 21-50929.97) is gratefully acknowledged

7 January 2020

cites work

1 reference

12 December 2020

Molecular dynamics simulations of biomolecules

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12 December 2020

Unfolded state of peptides

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12 December 2020

Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance

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

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Recommendations for the presentation of NMR structures of proteins and nucleic acids. IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy

1 reference

12 December 2020

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

1 reference

12 December 2020

Molecular dynamics of native protein. I. Computer simulation of trajectories

1 reference

12 December 2020

Simulations of apo and holo-fatty acid binding protein: structure and dynamics of protein, ligand and internal water.

1 reference

12 December 2020

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

1 reference

12 December 2020

A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field

1 reference

12 December 2020

Analysis of .vphi. and .chi.1 torsion angles for hen lysozyme in solution from proton NMR spin-spin coupling constants

1 reference

12 December 2020

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1 reference

12 December 2020

Molecular dynamics simulations of human alpha-lactalbumin: changes to the structural and dynamical properties of the protein at low pH.

1 reference

12 December 2020

Side-chain conformational disorder in a molten globule: molecular dynamics simulations of the A-state of human alpha-lactalbumin

1 reference

12 December 2020

Fluctuation and Cross-correlation Analysis of Protein Motions Observed in Nanosecond Molecular Dynamics Simulations

1 reference

12 December 2020

Structure of Hen Lysozyme in Solution

1 reference

12 December 2020

Molecular dynamics simulations of photoactive yellow protein (PYP) in three states of its photocycle: a comparison with X-ray and NMR data and analysis of the effects of Glu46 deprotonation and mutation

1 reference

12 December 2020

A comparison of the potential energy parameters of aliphatic alkanes: molecular dynamics simulations of triacylglycerols in the alpha phase

1 reference

12 December 2020

1 reference

12 December 2020

Calibration of the angular dependence of the amide proton-C alpha proton coupling constants, 3JHN alpha, in a globular protein. Use of 3JHN alpha for identification of helical secondary structure

1 reference

12 December 2020

Simulations of the Estrogen Receptor Ligand-Binding Domain: Affinity of Natural Ligands and Xenoestrogens

1 reference

12 December 2020

Molecular dynamics simulation of a phospholipid membrane

1 reference

12 December 2020

Water molecules in DNA recognition II: a molecular dynamics view of the structure and hydration of the trp operator

1 reference

12 December 2020