Quantum chemical 13C(alpha) chemical shift calculations for protein NMR structure determination, refinement, and validation (Q36936406)

17 August 2017

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

1 reference

17 August 2017

0 references

Gaetano T. Montelione

9

object named as

Gaetano T Montelione

1 reference

17 August 2017

10

Harold A Scheraga

1 reference

17 August 2017

3

Paolo Rossi

1 reference

17 August 2017

Jorge A Vila

1

1 reference

17 August 2017

James M Aramini

2

1 reference

17 August 2017

Alexandre Kuzin

4

1 reference

17 August 2017

Min Su

5

1 reference

17 August 2017

Jayaraman Seetharaman

6

1 reference

17 August 2017

Rong Xiao

7

1 reference

17 August 2017

Liang Tong

8

1 reference

17 August 2017

language of work or name

English

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publication date

11 September 2008

1 reference

Proceedings of the National Academy of Sciences of the United States of America

17 August 2017

1 reference

17 August 2017

105

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17 August 2017

38

1 reference

17 August 2017

14389-14394

1 reference

Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis

17 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Use of 13C(alpha) chemical shifts for accurate determination of beta-sheet structures in solution

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Factors affecting the use of 13C(alpha) chemical shifts to determine, refine, and validate protein structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Use of 13Calpha chemical shifts in protein structure determination

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

MolProbity: all-atom contacts and structure validation for proteins and nucleic acids

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Evaluating protein structures determined by structural genomics consortia

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Protein NMR recall, precision, and F-measure scores (RPF scores): structure quality assessment measures based on information retrieval statistics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Structure validation by Calpha geometry: phi,psi and Cbeta deviation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

29 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Homology modeling, model and software evaluation: three related resources

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

MOLMOL: a program for display and analysis of macromolecular structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Recognition of errors in three-dimensional structures of proteins

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

The impact of direct refinement against 13C alpha and 13C beta chemical shifts on protein structure determination by NMR.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Combined use of 13C chemical shift and 1H alpha-13C alpha heteronuclear NOE data in monitoring a protein NMR structure refinement

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Structure of ubiquitin refined at 1.8 A resolution

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Variable-target-function and build-up procedures for the calculation of protein conformation. Application to bovine pancreatic trypsin inhibitor using limited simulated nuclear magnetic resonance data

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Assessment of protein models with three-dimensional profiles

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Predicting 13Calpha chemical shifts for validation of protein structures.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Robotic cloning and Protein Production Platform of the Northeast Structural Genomics Consortium.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Identification of a protein, YneA, responsible for cell division suppression during the SOS response in Bacillus subtilis.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

Carbon-13 NMR shielding in the twenty common amino acids: comparisons with experimental results in proteins

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2567219

PROCHECK: a program to check the stereochemical quality of protein structures

4 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0807105105

Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.0807105105

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/18787110

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/18787110

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.0807105105

1 reference

17 August 2017

0 references

1 reference

17 August 2017

1 reference