About: Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools

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scientific article published on 21 February 2020

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rdf:type	Item
description	wetenschappelijk artikel (nl) artículu científicu espublizáu en febreru de 2020 (ast) im Februar 2020 veröffentlichter wissenschaftlicher Artikel (de) scientific article published on 21 February 2020 (en) наукова стаття, опублікована 21 лютого 2020 (uk)
publication date	wds:Q89618255-D03379BA-110D-4EDA-8580-5F513FBFE458
publication date	2020-02-21 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q89618255-290CA6B4-734A-4589-B6B2-009FE8D5B74A
language of work or name	English
cites work	wds:Q89618255-04D9D317-A959-4063-8904-A60DA17B0837 wds:Q89618255-09848D2C-E81D-49F2-98BE-6FDF8B5BD294 wds:Q89618255-2076CE83-EDB9-4285-8F76-6C5F45F606C7 wds:Q89618255-23A3D1B1-8B66-44AD-9FF2-3F2D7D7BC2C0 wds:Q89618255-273092E2-0DBE-483F-B751-FC8106FCE4AB wds:Q89618255-2EFD479F-E0E3-497C-AC8F-B6CF8D4DC47A wds:Q89618255-37A5D106-B678-452B-B9CB-FF3D3B6977E9 wds:Q89618255-448966A9-656A-4658-ADCE-7B9976C141FD wds:Q89618255-63EAFE7F-2217-40B1-93E9-4F2BD93FF928 wds:Q89618255-66EE85E9-B1C9-47A2-B306-3398DF5FBBB7 wds:Q89618255-6E6A8281-B9C4-44C3-A5F9-A8C360F73A10 wds:Q89618255-7F0A2B9F-4578-4518-9450-675E2F5A7B0E wds:Q89618255-854EFA87-6784-4BF4-8289-1CA6335768F2 wds:Q89618255-86F2C97A-7B0C-461E-83DB-08A82720410F wds:Q89618255-8A53E0FB-9A00-4374-8F3B-1793370A7525 wds:Q89618255-971F0E93-B5F4-44FA-9D34-515A90D2FA94 wds:Q89618255-97D49C17-A5B9-46C4-8380-A1D516F7C035 wds:Q89618255-9D411873-C61C-43AE-8221-FA07D334C9D5 wds:Q89618255-BB30896E-C9E9-402E-B385-2A97FEEAB95D wds:Q89618255-BE9F8821-D85C-4FE6-9EA0-7ECC48881B81 wds:Q89618255-C1A6A385-3307-42A3-8377-BD75A97743D8 wds:Q89618255-C50193CB-349C-43A1-A406-C580FCCD53D6 wds:Q89618255-C7B7F6E6-F327-419C-9F1E-360D7AFF1319 wds:Q89618255-CAF75104-C466-44AB-83D3-7F080D180701 wds:Q89618255-D67F78A0-5D84-4D1F-B2FE-A5BC006C7D93 wds:Q89618255-DEABE440-19AD-4A0E-A469-6CFB57AE9185 wds:Q89618255-E2798C4D-A69D-48E2-AF1C-FBC633EF6159 wds:Q89618255-FE59B6DB-0DDB-4C9B-B102-BD383A9E76AC
cites work	Density-functional exchange-energy approximation with correct asymptotic behavior Robust normal modes in vibrational circular dichroism spectra Density-functional approximation for the correlation energy of the inhomogeneous electron gas Vibrational spectroscopic characteristics of secondary structure polypeptides in liquid water: constrained MD simulation studies Dependence of amide vibrations on hydrogen bonding Simulated IR, isotropic and anisotropic Raman, and vibrational circular dichroism amide I band profiles of stacked β-sheets Optimized Slater-type basis sets for the elements 1-118. Nature of vibrational coupling in helical peptides: an isotopic labeling study Protein and peptide secondary structure and conformational determination with vibrational circular dichroism Infrared, vibrational circular dichroism, and Raman spectral simulations for β-sheet structures with various isotopic labels, interstrand, and stacking arrangements using density functional theory. Vibrational circular dichroism shows unusual sensitivity to protein fibril formation and development in solution Vibrational circular dichroism as a probe of fibrillogenesis: the origin of the anomalous intensity enhancement of amyloid-like fibrils Amide I vibrational circular dichroism of polypeptides: generalized fragmentation approximation method. Effects of complex formation on vibrational circular dichroism spectra Importance of C*-H based modes and large amplitude motion effects in vibrational circular dichroism spectra: the case of the chiral adduct of dimethyl fumarate and anthracene. QUILD: QUantum-regions interconnected by local descriptions Revisiting an old concept: the coupled oscillator model for VCD. Part 2: implications of the generalised coupled oscillator mechanism for the VCD robustness concept. Bioinspired interactions studied by vibrational circular dichroism Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals. The importance of large-amplitude motions for the interpretation of mid-infrared vibrational absorption and circular dichroism spectra: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol in dimethyl sulfoxide Reliability of computed signs and intensities for vibrational circular dichroism spectra VCD Robustness of the Amide-I and Amide-II Vibrational Modes of Small Peptide Models. Absolute configuration and conformational analysis of a degradation product of inhalation anesthetic Sevoflurane: A vibrational circular dichroism study Circular dichroism enhancement in large DNA aggregates simulated by a generalized oscillator model. Insight into vibrational circular dichroism of proteins by density functional modeling. Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides Effects of strong and weak hydrogen bond formation on VCD spectra: a case study of 2-chloropropionic acid GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism Spectra
author name string	wds:Q89618255-6D7BF724-F628-4454-AE54-B3BD7EBF5870
author name string	Mark A J Koenis
rdfs:label	Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (en) Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (nl)
skos:prefLabel	Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (en) Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (nl)
name	Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (en) Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (nl)
author	wds:Q89618255-6AEDED55-9922-48CE-91D9-44EE60CDE397 wds:Q89618255-89E9AC10-7295-4C2C-9E5D-FB38A653C6BF wds:Q89618255-D00FDD80-5A97-4FDD-AB91-8E90213E710F
author	Valentin P Nicu Lucas Visscher Wybren Jan Buma
title	wds:Q89618255-3FB785EC-AAC5-411D-B9FF-2307DEEAD048
title	Analysis of Vibrational Circular Dichroism Spectra of Peptides: A Generalized Coupled Oscillator Approach of a Small Peptide Model Using VCDtools (en)
page(s)	wds:Q89618255-87FF42B8-71DA-4212-995F-6629FF27CAE8
page(s)	1665-1677
instance of	wds:Q89618255-3C94A908-75BD-42DF-AAD6-05F545FC02D7
instance of	scholarly article
PubMed ID	wds:Q89618255-9B09B866-EEEF-4DB9-814F-9AE157C7F97F
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/32037822
PubMed ID	32037822
published in	wds:Q89618255-CB1FE624-97F4-4063-A6C1-17A781F64B44
published in	Journal of Physical Chemistry B
issue	wds:Q89618255-6E2332FD-9ACF-4711-B7E3-E0FC9B022BEE
volume	wds:Q89618255-3A9EA446-9A2A-4211-A7CE-CB7ACF3BC215
issue	9
volume	124
DOI	wds:Q89618255-6F575075-41DC-48FD-A429-CEF52BC2C7EC
DOI	http://dx.doi.org/10.1021/ACS.JPCB.9B11261
DOI	10.1021/ACS.JPCB.9B11261
PMCID	wds:Q89618255-D00A0DE4-6BEB-41A3-81F2-09D4026F8E08
PMCID	7061330

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