(Q36632101)

15 August 2017

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

1 reference

15 August 2017

Susan C DeSensi

1

1 reference

15 August 2017

David P Rangel

2

1 reference

15 August 2017

Albert H Beth

3

1 reference

15 August 2017

Terry P Lybrand

4

1 reference

15 August 2017

Eric J Hustedt

5

1 reference

15 August 2017

language of work or name

English

0 references

publication date

30 January 2008

1 reference

15 August 2017

12

1 reference

based on heuristic

inferred from page(s)

published in

Biophysical Journal

1 reference

15 August 2017

94

1 reference

15 August 2017

10

1 reference

15 August 2017

3798-3809

1 reference

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

15 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Recent advances and applications of site-directed spin labeling.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Quaternions in molecular modeling

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Precise boundary element computation of protein transport properties: Diffusion tensors, specific volume, and hydration.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Dipolar coupling between nitroxide spin labels: the development and application of a tether-in-a-cone model

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Molecular dynamics simulation of site-directed spin labeling: experimental validation in muscle fibers

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

A new spin on protein dynamics

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Evaluation of site-directed spin labeling for characterizing protein-ligand complexes using simulated restraints

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Identifying conformational changes with site-directed spin labeling

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

The penultimate rotamer library

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Nitroxide spin-spin interactions: applications to protein structure and dynamics.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

A multifrequency electron spin resonance study of T4 lysozyme dynamics

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Molecular distances from dipolar coupled spin-labels: the global analysis of multifrequency continuous wave electron paramagnetic resonance data

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Effects of Na+ and Mg2+ on the structures of supercoiled DNAs: comparison of simulations with experiments

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Structural studies of mutants of T4 lysozyme that alter hydrophobic stabilization

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Sampling of slow diffusive conformational transitions with accelerated molecular dynamics

28 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Calculating slow-motional electron paramagnetic resonance spectra from molecular dynamics using a diffusion operator approach.

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Distance between a native cofactor and a spin label in the reaction centre of Rhodobacter sphaeroides by a two-frequency pulsed electron paramagnetic resonance method and molecular dynamics simulations

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Explicit treatment of spin labels in modeling of distance constraints from dipolar EPR and DEER.

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

A modified TIP3P water potential for simulation with Ewald summation

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Formulation of Zeeman modulation as a signal filter.

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

Molecular motion of spin labeled side chains in alpha-helices: analysis by variation of side chain structure

20 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2367180

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

20 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18234808

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Stereoselective binding of indomethacin ethanolamide derivatives to cyclooxygenase-1

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18234808

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1529/BIOPHYSJ.107.125419

1 reference

15 August 2017

1 reference

15 August 2017

PubMed publication ID

18234808

1 reference