Integrated Computational Approach to the Electron Paramagnetic Resonance Characterization of Rigid 310-Helical Peptides with TOAC Nitroxide Spin Labels.

scientific article published on 19 April 2017

Integrated Computational Approach to the Electron Paramagnetic Resonance Characterization of Rigid 310-Helical Peptides with TOAC Nitroxide Spin Labels. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACS.JPCB.7B01050
P932PMC publication ID5628910
P698PubMed publication ID28422504

P50authorPaolo CalligariQ56999131
Martina HuberQ87863902
Alessandro MorettoQ43276725
P2093author name stringAntonino Polimeno
Mirco Zerbetto
Martin van Son
Claudio Toniolo
Fernando Formaggio
Maryam Hashemi Shabestari
Marco Gerolin
P2860cites workConformation and EPR characterization of rigid, 310-helical peptides with TOAC spin labels: Models for short distancesQ58440471
Magnetic exchange coupling in bis-nitroxides: a theoretical analysis of the solvent effectsQ59464624
Gaussian-4 theoryQ28291861
Decomposition of Proteins into Dynamic Units from Atomic Cross-Correlation FunctionsQ30397231
Direct conversion of EPR dipolar time evolution data to distance distributionsQ32079827
Control of peptide conformation by the Thorpe-Ingold effect (C alpha-tetrasubstitution).Q34810582
Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicalsQ35685661
Structural characteristics of alpha-helical peptide molecules containing Aib residuesQ37951600
Hydrodynamic modeling of diffusion tensor properties of flexible moleculesQ43872297
On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenylQ46800912
In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile.Q51526077
Unraveling solvent-driven equilibria between alpha- and 3(10)-helices through an integrated spin labeling and computational approach.Q51625717
Toward an integrated computational approach to CW-ESR spectra of free radicals.Q51628875
Modeling of cw-EPR spectra of propagating radicals in methacrylic polymerization at different temperatures.Q51871149
Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in acetonitrile.Q51921962
Stochastic modeling of CW-ESR spectroscopy of [60]fulleropyrrolidine bisadducts with nitroxide probes.Q51944651
P433issue17
P407language of work or nameEnglishQ1860
P1104number of pages9
P304page(s)4379-4387
P577publication date2017-04-19
P1433published inJournal of Physical Chemistry BQ668669
P1476titleIntegrated Computational Approach to the Electron Paramagnetic Resonance Characterization of Rigid 310-Helical Peptides with TOAC Nitroxide Spin Labels
P478volume121

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Q92871338Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applicationscites workP2860

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