(Q41948351)

English

Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine alpha-helix

scientific article published on 16 April 2008

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scholarly article

1 reference

Europe PubMed Central

14 October 2017

Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine alpha-helix (English)

1 reference

Europe PubMed Central

14 October 2017

2

object named as

Jack H Freed

1 reference

Europe PubMed Central

14 October 2017

author name string

Deniz Sezer

1

1 reference

Europe PubMed Central

14 October 2017

Benoît Roux

3

1 reference

Europe PubMed Central

14 October 2017

language of work or name

0 references

publication date

16 April 2008

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Europe PubMed Central

14 October 2017

number of pages

13

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inferred from page(s)

Journal of Physical Chemistry B

1 reference

Europe PubMed Central

14 October 2017

112

1 reference

Europe PubMed Central

14 October 2017

5755-5767

1 reference

Europe PubMed Central

14 October 2017

18

1 reference

Europe PubMed Central

14 October 2017

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

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5 June 2018

Simulation of nitroxide electron paramagnetic resonance spectra from brownian trajectories and molecular dynamics simulations

1 reference

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5 June 2018

Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme

1 reference

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Modeling the effects of structure and dynamics of the nitroxide side chain on the ESR spectra of spin-labeled proteins.

1 reference

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Dynamics of the nitroxide side chain in spin-labeled proteins

1 reference

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A structure-based simulation approach for electron paramagnetic resonance spectra using molecular and stochastic dynamics simulations.

1 reference

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Influence of the disulfide bond configuration on the dynamics of the spin label attached to cytochrome c.

1 reference

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High-frequency ESR at ACERT.

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What contributions to protein side-chain dynamics are probed by NMR experiments? A molecular dynamics simulation analysis

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Diffusion and electrophoretic mobility of single-stranded RNA from molecular dynamics simulations.

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A new spin on protein dynamics

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Identifying conformational changes with site-directed spin labeling

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Crystal structures of spin labeled T4 lysozyme mutants: implications for the interpretation of EPR spectra in terms of structure.

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Nitroxide side-chain dynamics in a spin-labeled helix-forming peptide revealed by high-frequency (139.5-GHz) EPR spectroscopy

1 reference

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5 June 2018

A multifrequency electron spin resonance study of T4 lysozyme dynamics

1 reference

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5 June 2018

Motion of spin-labeled side chains in T4 lysozyme: effect of side chain structure

1 reference

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Calculation of electron paramagnetic resonance spectra from Brownian dynamics trajectories: application to nitroxide side chains in proteins

1 reference

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Motion of spin-labeled side chains in T4 lysozyme. Correlation with protein structure and dynamics

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Motion of spin label side chains in cellular retinol-binding protein: correlation with structure and nearest-neighbor interactions in an antiparallel beta-sheet

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Structural determination of spin label immobilization and orientation: a Monte Carlo minimization approach

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1 reference

https://pubmed.ncbi.nlm.nih.gov/18412413

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

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Identifiers

10.1021/JP711375X

1 reference

Europe PubMed Central

14 October 2017

1 reference

Europe PubMed Central

14 October 2017

1 reference

Europe PubMed Central

14 October 2017

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