Physics-based method to validate and repair flaws in protein structures (Q29863696)

object named as

Harold A Scheraga

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author name string

Yelena A Arnautova

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Alejandro A Icazatti

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Jorge A Vila

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

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language of work or name

English

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publication date

15 October 2013

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published in

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volume

110

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issue

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page(s)

16826-31

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uses

CheShift

1 reference

http://www.pnas.org/content/110/42/16826

SHIFTX2: significantly improved protein chemical shift prediction

8 May 2017

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9 May 2017

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What can we learn by computing 13Calpha chemical shifts for X-ray protein models?

9 May 2017

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9 May 2017

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9 May 2017

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Traditional biomolecular structure determination by NMR spectroscopy allows for major errors

9 May 2017

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The penultimate rotamer library

9 May 2017

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

9 May 2017

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Structure of ubiquitin refined at 1.8 A resolution

9 May 2017

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9 May 2017

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The Protein Data Bank: a computer-based archival file for macromolecular structures

9 May 2017

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Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks

9 May 2017

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CheShift-2: graphic validation of protein structures

3 June 2018

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Protein structure validation using side-chain chemical shifts

3 June 2018

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Blind testing of routine, fully automated determination of protein structures from NMR data

3 June 2018

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Sequential nearest-neighbor effects on computed 13Calpha chemical shifts

3 June 2018

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Assessing the accuracy of protein structures by quantum mechanical computations of 13C(alpha) chemical shifts

3 June 2018

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On vital aid: the why, what and how of validation

3 June 2018

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

3 June 2018

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

3 June 2018

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The structure of globular proteins

3 June 2018

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

3 June 2018

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

3 June 2018

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Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains

3 June 2018

1 reference

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

3 June 2018

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Using NMR chemical shifts as structural restraints in molecular dynamics simulations of proteins

21 January 2018

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Sequence-dependent correction of random coil NMR chemical shifts

21 January 2018

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Main-chain conformational features at different conformations of the side-chains in proteins.

21 January 2018

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

21 January 2018

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Structure refinement of protein model decoys requires accurate side-chain placement

21 January 2018

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12 December 2020

Investigation of the neighboring residue effects on protein chemical shifts

1 reference

12 December 2020

Is one solution good enough?

1 reference

12 December 2020

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

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1315525110

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ADS bibcode

2013PNAS..11016826M

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1 reference

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PubMed publication ID

24082119

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