Solid-State NMR Ensemble Dynamics as a Mediator between Experiment and Simulation (Q35070355)

6 August 2017

title

Solid-state NMR ensemble dynamics as a mediator between experiment and simulation (English)

1 reference

6 August 2017

Solid-State NMR Ensemble Dynamics as a Mediator between Experiment and Simulation (English)

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

molecular dynamics simulation

5 December 2024

main subject

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:21689525

5 December 2024

3

Wonpil Im

1 reference

6 August 2017

Taehoon Kim

1

1 reference

6 August 2017

Sunhwan Jo

2

1 reference

6 August 2017

language of work or name

English

0 references

publication date

1 June 2011

1 reference

6 August 2017

22 June 2011

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=21689525

full work available at URL

5 December 2024

http://www.cell.com/article/S0006349511005649/pdf

file format

Portable Document Format

online access status

open access

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:21689525

https://europepmc.org/articles/PMC3123927

5 December 2024

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:21689525

https://europepmc.org/articles/PMC3123927?pdf=render

5 December 2024

file format

Portable Document Format

online access status

open access

content deliverer

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:21689525

https://doi.org/10.1016/j.bpj.2011.02.063

5 December 2024

online access status

open access

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC:MED AND EXT_ID:21689525

https://api.elsevier.com/content/article/PII:S0006349511005649?httpAccept=text/xml

5 December 2024

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

https://api.elsevier.com/content/article/PII:S0006349511005649?httpAccept=text/plain

5 December 2024

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

5 December 2024

1 reference

6 August 2017

volume

100

1 reference

6 August 2017

issue

12

1 reference

6 August 2017

page(s)

2922-2928

1 reference

Transmembrane Helix Orientation and Dynamics: Insights from Ensemble Dynamics with Solid-State NMR Observables

6 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Interpretation of 2H-NMR experiments on the orientation of the transmembrane helix WALP23 by computer simulations.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Charged or aromatic anchor residue dependence of transmembrane peptide tilt.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Revisiting hydrophobic mismatch with free energy simulation studies of transmembrane helix tilt and rotation

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Order parameters of a transmembrane helix in a fluid bilayer: case study of a WALP peptide

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Tilt and rotation angles of a transmembrane model peptide as studied by fluorescence spectroscopy.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

CHARMM: the biomolecular simulation program

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Orientation and dynamics of peptides in membranes calculated from 2H-NMR data

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Structure, dynamics, and assembly of filamentous bacteriophages by nuclear magnetic resonance spectroscopy

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

The dynamic orientation of membrane-bound peptides: bridging simulations and experiments.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Bilayer thickness and membrane protein function: an energetic perspective.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

The MUMO (minimal under-restraining minimal over-restraining) method for the determination of native state ensembles of proteins

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Interfacial folding and membrane insertion of designed peptides studied by molecular dynamics simulations

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Simultaneous determination of protein structure and dynamics.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Tilt angles of transmembrane model peptides in oriented and non-oriented lipid bilayers as determined by 2H solid-state NMR.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Geometry and intrinsic tilt of a tryptophan-anchored transmembrane alpha-helix determined by (2)H NMR

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Effective energy function for proteins in solution

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Induction of nonbilayer structures in diacylphosphatidylcholine model membranes by transmembrane alpha-helical peptides: importance of hydrophobic mismatch and proposed role of tryptophans

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

The description of membrane lipid conformation, order and dynamics by 2H-NMR

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Orientational landscapes of peptides in membranes: prediction of (2)H NMR couplings in a dynamic context.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Comparison of "Polarization inversion with spin exchange at magic angle" and "geometric analysis of labeled alanines" methods for transmembrane helix alignment.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Application of solid-state NMR restraint potentials in membrane protein modeling

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

On the orientation of a designed transmembrane peptide: toward the right tilt angle?

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Application of torsion angle molecular dynamics for efficient sampling of protein conformations

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Influence of flanking residues on tilt and rotation angles of transmembrane peptides in lipid bilayers. A solid-state 2H NMR study.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Determination of protein structures consistent with NMR order parameters

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

Effective energy function for proteins in lipid membranes

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3123927

CHARMM-GUI: a web-based graphical user interface for CHARMM

27 September 2018

1 reference

12 December 2020

Beta-hairpin restraint potentials for calculations of potentials of mean force as a function of beta-hairpin tilt, rotation, and distance

1 reference

12 December 2020

Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations

1 reference

12 December 2020

Transmembrane helix tilting: insights from calculating the potential of mean force

1 reference

12 December 2020

Conformational Variability of Solution Nucelar Magnetic Resonance Structures

1 reference

12 December 2020

Different Membrane Anchoring Positions of Tryptophan and Lysine in Synthetic Transmembrane α-Helical Peptides

1 reference

12 December 2020

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

28

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

5 December 2024

29

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

Molecular dynamics with coupling to an external bath

5 December 2024

34

1 reference

https://api.crossref.org/works/10.1016/J.BPJ.2011.02.063

5 December 2024

Identifiers

1 reference

6 August 2017

1 reference

6 August 2017

1 reference