(Q53028677)

10 May 2018

title

Biomolecular structure refinement based on adaptive restraints using local-elevation simulation. (English)

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10 May 2018

main subject

molecular geometry

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author

Wilfred F van Gunsteren

series ordinal

3

object named as

Wilfred F van Gunsteren

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10 May 2018

author name string

Markus Christen

series ordinal

1

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10 May 2018

Bettina Keller

series ordinal

2

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10 May 2018

publication date

11 October 2007

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10 May 2018

Journal of Biomolecular NMR

published in

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10 May 2018

volume

39

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10 May 2018

issue

4

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10 May 2018

page(s)

265-273

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10 May 2018

https://scigraph.springernature.com/pub.10.1007/s10858-007-9194-2

exact match

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cites work

On the nature of molecular conformations inferred from high-resolution NMR.

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10858-007-9194-2

Validation of the 53A6 GROMOS force field

21 January 2018

1 reference

12 December 2020

The GROMOS software for biomolecular simulation: GROMOS05.

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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

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12 December 2020

Parametrisation of time-averaged distance restraints in MD simulations

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12 December 2020

A protein structure from nuclear magnetic resonance data. lac repressor headpiece

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12 December 2020

A reassessment of the structure of chymotrypsin inhibitor 2 (CI-2) using time-averaged NMR restraints

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12 December 2020

Self-consistent 3J coupling analysis for the joint calibration of Karplus coefficients and evaluation of torsion angles

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

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

1 reference

12 December 2020

Local elevation: a method for improving the searching properties of molecular dynamics simulation.

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

On using time-averaging restraints in molecular dynamics simulation.

1 reference

12 December 2020

Self-consistent Karplus parametrization of 3J couplings depending on the polypeptide side-chain torsion chi1.

1 reference

12 December 2020

Structure refinement using time-averaged J-coupling constant restraints.

1 reference

12 December 2020

Dynamical studies of peptide motifs in the Plasmodium falciparum circumsporozoite surface protein by restrained and unrestrained MD simulations

1 reference

12 December 2020

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

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

10.1007/S10858-007-9194-2

Identifiers

DOI

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10 May 2018

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10 May 2018