(Q36356953)

13 August 2017

Improved chemical shift prediction by Rosetta conformational sampling (English)

1 reference

13 August 2017

0 references

2

Stanley J Opella

1 reference

13 August 2017

Ye Tian

1

1 reference

PMC publication ID

3484222

13 August 2017

Francesca M Marassi

series ordinal

3

1 reference

13 August 2017

25 September 2012

1 reference

Journal of Biomolecular NMR

13 August 2017

1 reference

13 August 2017

54

1 reference

13 August 2017

3

1 reference

13 August 2017

237-243

1 reference

Structure of the chemokine receptor CXCR1 in phospholipid bilayers

13 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Three-dimensional structures of membrane proteins from genomic sequencing

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Structure Determination of a Membrane Protein in Proteoliposomes

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Protein 3D structure computed from evolutionary sequence variation

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Mitochondrial uncoupling protein 2 structure determined by NMR molecular fragment searching

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

SHIFTX2: significantly improved protein chemical shift prediction

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Insight into the Mechanism of the Influenza A Proton Channel from a Structure in a Lipid Bilayer

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

A Monte Carlo/simulated annealing algorithm for sequential resonance assignment in solid state NMR of uniformly labeled proteins with magic-angle spinning

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

NMR structure determination for larger proteins using backbone-only 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=3484222

Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Fast and accurate predictions of protein NMR chemical shifts from interatomic distances.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

De novo protein structure generation from incomplete chemical shift assignments.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Quantum chemical 13C(alpha) chemical shift calculations for protein NMR structure determination, refinement, and validation

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Dependence of amino acid side chain 13C shifts on dihedral angle: application to conformational analysis

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence 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=3484222

Macromolecular modeling with rosetta

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Consistent blind protein structure generation from NMR chemical shift 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=3484222

Structure prediction for CASP7 targets using extensive all-atom refinement with Rosetta@home

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Protein backbone chemical shifts predicted from searching a database for torsion angle and sequence homology

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Protein structure determination from NMR chemical shifts

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Atomic-level characterization of disordered protein ensembles

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Structure determination of a membrane protein with two trans-membrane helices in aligned phospholipid bicelles by solid-state NMR spectroscopy

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

PIPATH: an optimized algorithm for generating alpha-helical structures from PISEMA 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=3484222

Multipass membrane protein structure prediction using Rosetta

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Toward high-resolution de novo structure prediction for small 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=3484222

NMR structure determination of a membrane protein with two transmembrane helices in micelles: MerF of the bacterial mercury detoxification system

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Predicting 15N chemical shifts in proteins using the preceding residue-specific individual shielding surfaces from phi, psi i-1, and chi 1 torsion angles

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

PROSHIFT: Protein chemical shift prediction using artificial neural networks

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Simultaneous assignment and structure determination of a membrane protein from NMR orientational 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=3484222

Rosetta in CASP4: progress in ab initio protein structure prediction

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Automated prediction of 15N, 13Calpha, 13Cbeta and 13C' chemical shifts in proteins using a density functional database

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

A dipolar coupling based strategy for simultaneous resonance assignment and structure determination of protein backbones

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Protein backbone angle restraints from searching a database for chemical shift and sequence homology

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

C alpha and C beta carbon-13 chemical shifts in proteins from an empirical database

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Structures of the reduced and mercury-bound forms of MerP, the periplasmic protein from the bacterial mercury detoxification system

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Relationship between nuclear magnetic resonance chemical shift and protein secondary 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=3484222

Automated protein resonance assignments of magic angle spinning solid-state NMR spectra of β1 immunoglobulin binding domain of protein G (GB1).

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3484222

Structural information from NMR secondary chemical shifts of peptide alpha C-H protons in proteins.

29 June 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10858-012-9677-7

Enhanced conformational space sampling improves the prediction of chemical shifts in proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10858-012-9677-7

Leucine side-chain conformation and dynamics in proteins from 13C NMR chemical shifts.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10858-012-9677-7

Predicting 13Calpha chemical shifts for validation of protein structures.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10858-012-9677-7

Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23007199

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Effects of side-chain orientation on the 13C chemical shifts of antiparallel beta-sheet model peptides

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23007199

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10858-012-9677-7

1 reference

13 August 2017

1 reference

PMC publication ID

3484222

13 August 2017

PubMed publication ID

23007199

1 reference

PMC publication ID

3484222