(Q30407483)

3 September 2017

Peptide bond distortions from planarity: new insights from quantum mechanical calculations and peptide/protein crystal structures (English)

1 reference

3 September 2017

0 references

Luciana Esposito

3

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Roberto Improta

object named as

Roberto Improta

series ordinal

1

0 references

author name string

Luigi Vitagliano

series ordinal

2

1 reference

PMCID

3174960

3 September 2017

language of work or name

English

0 references

publication date

16 September 2011

1 reference

3 September 2017

1 reference

3 September 2017

6

1 reference

3 September 2017

9

1 reference

3 September 2017

e24533

1 reference

Creative Commons Attribution 4.0 International

3 September 2017

start time

16 September 2011

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

A conformation-dependent stereochemical library improves crystallographic refinement even at atomic resolution

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Signature of n→π* interactions in α-helices

20 June 2018

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n-->pi* interactions in proteins

20 June 2018

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Stereoelectronic and steric effects in side chains preorganize a protein main chain

20 June 2018

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Protein Geometry Database: a flexible engine to explore backbone conformations and their relationships to covalent geometry.

20 June 2018

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Conformation dependence of backbone geometry in proteins.

20 June 2018

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Ultrahigh-resolution crystallography and related electron density and electrostatic properties in proteins

20 June 2018

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Contribution of dipole-dipole interactions to the stability of the collagen triple helix

20 June 2018

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Structural dependencies of protein backbone 2JNC' couplings

20 June 2018

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Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them?

20 June 2018

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Resonance structures of the amide bond: the advantages of planarity

20 June 2018

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Correlation between omega and psi dihedral angles in protein structures.

20 June 2018

1 reference

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Protein structure prediction using Rosetta

20 June 2018

1 reference

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Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

20 June 2018

1 reference

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Recent advances in atomic resolution protein crystallography

20 June 2018

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The Cambridge Structural Database: a quarter of a million crystal structures and rising

20 June 2018

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20 June 2018

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21 January 2018

The Protein Data Bank

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Pyramidalization of backbone carbonyl carbon atoms in proteins

20 June 2018

1 reference

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The ultrahigh resolution crystal structure of ribonuclease A containing an isoaspartyl residue: hydration and sterochemical analysis

20 June 2018

1 reference

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The partial charge of the nitrogen atom in peptide bonds

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3174960

Deviations from planarity of the peptide bond in peptides and proteins

20 June 2018

1 reference

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The non-planar peptide unit II. Comparison of theory with crystal structure data

20 June 2018

1 reference

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Nature of amide carbonyl--carbonyl interactions in proteins

20 June 2018

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Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations

21 January 2018

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Spectroscopic properties of the nonplanar amide group: a computational study.

21 January 2018

1 reference

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Evaluation of backbone proton positions and dynamics in a small protein by liquid crystal NMR spectroscopy

21 January 2018

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Linus Pauling and the planar peptide bond.

21 January 2018

1 reference

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Study of nonplanarity of peptide bond using theoretical calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Quantum mechanical continuum solvation models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model

21 January 2018

1 reference

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Structure and conformational behavior of biopolymers by density functional calculations employing periodic boundary conditions. I. The case of polyglycine, polyalanine, and poly-alpha-aminoisobutyric acid in vacuo

21 January 2018

1 reference

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Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Ramachandran revisited. DFT energy surfaces of diastereomeric trialanine peptides in the gas phase and aqueous solution

21 January 2018

1 reference

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Structure of the gas-phase glycine tripeptide

21 January 2018

1 reference

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Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach

21 January 2018

1 reference

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A forward-looking suggestion for resolving the stereochemical restraints debate: ideal geometry functions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

21 January 2018

Natural hybrid orbitals

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Veni, vidi, vici — atomic resolution unravelling the mysteries of protein function

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Internal and Overall Peptide Group Motion in Proteins: Molecular Dynamics Simulations for Lysozyme Compared with Results from X-ray and NMR Spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Who checks the checkers? four validation tools applied to eight atomic resolution structures 1 1Edited by I. A. Wilson

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0024533

Automated refinement for protein crystallography

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3174960

Who checks the checkers? Four validation tools applied to eight atomic resolution structures. EU 3-D Validation Network

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3174960

Peptide-bond distortions and the curvature of alpha-helices

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21949726

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Comment on Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them? by Jaskolski, Gilski, Dauter & Wlodawer (2007)

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21949726

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1371/JOURNAL.PONE.0024533

1 reference

3 September 2017

0 references

1 reference

3 September 2017

1 reference

PMCID

3174960