(Q42112766)

16 October 2017

Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide (English)

1 reference

16 October 2017

5

Shaul Mukamel

1 reference

16 October 2017

Neelanjana Sengupta

1

1 reference

16 October 2017

Hiroaki Maekawa

2

1 reference

16 October 2017

Wei Zhuang

3

1 reference

16 October 2017

Claudio Toniolo

4

1 reference

16 October 2017

Douglas J Tobias

6

1 reference

16 October 2017

Nien-Hui Ge

7

1 reference

16 October 2017

language of work or name

English

0 references

publication date

1 September 2009

1 reference

16 October 2017

13

1 reference

Journal of Physical Chemistry B

inferred from page(s)

published in

1 reference

16 October 2017

113

1 reference

16 October 2017

35

1 reference

16 October 2017

12037-12049

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Couplings between peptide linkages across a 3(10)-helical hydrogen bond revealed by two-dimensional infrared spectroscopy

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Empirical amide I vibrational frequency map: application to 2D-IR line shapes for isotope-edited membrane peptide bundles.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Dynamic charge interactions create surprising rigidity in the ER/K alpha-helical protein motif

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Coherent two-dimensional optical spectroscopy

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Straightening and sequential buckling of the pore-lining helices define the gating cycle of MscS.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional infrared spectroscopy of photoswitchable peptides

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional infrared population transfer spectroscopy for enhancing structural markers of proteins

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional spectroscopy at infrared and optical frequencies

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Membrane assembly of simple helix homo-oligomers studied via molecular dynamics simulations

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Amide I vibrational dynamics of N-methylacetamide in polar solvents: the role of electrostatic interactions

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Spectral signatures of heterogeneous protein ensembles revealed by MD Simulations of 2DIR spectra.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Simulation protocols for coherent femtosecond vibrational spectra of peptides

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

The Amber biomolecular simulation programs

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Nmr probes of molecular dynamics: overview and comparison with other techniques

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

From folding theories to folding proteins: a review and assessment of simulation studies of protein folding and unfolding

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional infrared spectroscopy of peptides by phase-controlled femtosecond vibrational photon echoes

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Solvent influence on base stacking

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Structures of peptides from alpha-amino acids methylated at the alpha-carbon.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Views of helical peptides: a proposal for the position of 3(10)-helix along the thermodynamic folding pathway

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Free energy determinants of secondary structure formation: I. alpha-Helices

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Helix geometry in proteins

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Structural characteristics of alpha-helical peptide molecules containing Aib residues

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

The polypeptide 310-helix

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Onset of 3(10)-helical secondary structure in aib oligopeptides probed by coherent 2D IR spectroscopy.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Two-dimensional infrared spectral signatures of 3(10)- and alpha-helical peptides.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Electrostatic DFT map for the complete vibrational amide band of NMA.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Quantitative correlation of solvent polarity with the alpha-/3(10)-helix equilibrium: a heptapeptide behaves as a solvent-driven molecular spring

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

A structural and functional role for 11-mer repeats in alpha-synuclein and other exchangeable lipid binding proteins

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Modern protein force fields behave comparably in molecular dynamics simulations

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Peptide α/310-Helix Dimorphism in the Crystal State

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Solvent Polarity Controls the Helical Conformation of Short Peptides Rich in Cα-Tetrasubstituted Amino Acids

1 December 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2932706

Modeling the amide I bands of small peptides

1 December 2018

1 reference

12 December 2020

Motional narrowing in the time-averaging approximation for simulating two-dimensional nonlinear infrared spectra

1 reference

12 December 2020

Slowtert-butyl ester acidolysis and peptide 310-helix to α-helix transition in HFIP solution

1 reference

12 December 2020

Different spectral signatures of octapeptide 3(10)- and alpha-helices revealed by two-dimensional infrared spectroscopy

1 reference

12 December 2020

Dynamical effects in line shapes for coupled chromophores: time-averaging approximation

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP901504R

1 reference

16 October 2017

1 reference

16 October 2017

PubMed publication ID

19496555

1 reference