circular dichroism spectra
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Knowledge-Based Atomic Polarizabilities Used to Model Circular Dichroism Spectra of Proteins

2021 ◽  
Author(s):  
Carmen Giovana Granados-Ramírez ◽  
Mauricio D. Carbajal-Tinoco
Keyword(s):  
Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Knowledge Based ◽  
Circular Dichroïsm

scholarly journals Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors

JACS Au ◽  
2021 ◽  
Author(s):  
Luyuan Zhao ◽  
Jinxiao Zhang ◽  
Yaolong Zhang ◽  
Sheng Ye ◽  
Guozhen Zhang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm

scholarly journals Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra

Chirality ◽  
2021 ◽  
Author(s):  
Andrew R. Puente ◽  
Adrien Bessaguet ◽  
Noël Pairault ◽  
Grégory Pieters ◽  
Jeanne Crassous ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Circular Dichroism Spectra ◽  
Electronic Circular Dichroism ◽  
Circular Dichroïsm

scholarly journals Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order

2021 ◽  
Vol 154 (6) ◽  
pp. 064107
Author(s):  
Mikael Scott ◽  
Dirk R. Rehn ◽  
Sonia Coriani ◽  
Patrick Norman ◽  
Andreas Dreuw
Keyword(s):  
Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Third Order ◽  
Electronic Circular Dichroism ◽  
Polarization Propagator ◽  
Circular Dichroïsm

scholarly journals Natural and magnetic circular dichroism spectra of nucleosides: effect of the dynamics and environment

RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 8411-8419
Author(s):  
Jakub Kaminský ◽  
Valery Andrushchenko ◽  
Petr Bouř
Keyword(s):  
Molecular Dynamics ◽  
Circular Dichroism ◽  
Nucleic Acids ◽  
Electronic Absorption ◽  
Magnetic Circular Dichroism ◽  
Circular Dichroism Spectra ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

Electronic absorption, natural and magnetic circular dichroism spectra of several nucleosides are simulated to understand their dependence on molecular dynamics and environment, their sensitivity to nucleoside pairing and stacking in nucleic acids.

Remarkably high solvatochromism in the circular dichroism spectra of the polyproline-II conformation: limitations or new opportunities?

2021 ◽  
Author(s):  
Vladimir Kubyshkin ◽  
Jochen Bürck ◽  
Oleg Babii ◽  
Nediljko Budisa ◽  
Anne S. Ulrich
Keyword(s):  
Circular Dichroism ◽  
Conventional Method ◽  
Secondary Structures ◽  
Circular Dichroism Spectra ◽  
Polyproline Ii ◽  
Circular Dichroïsm

Circular dichroism is a conventional method for studying the secondary structures of peptides and proteins and their transitions. While certain circular dichroism features are characteristic of α-helices and β-strands, the...

scholarly journals Chiroptical characterization tools for asymmetric small molecules – experimental and computational approaches for electronic circular dichroism (ECD) and anisotropy spectroscopy

RSC Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 1635-1643
Author(s):  
Amanda C. Evans ◽  
Andrew S. Petit ◽  
Steven G. Guillen ◽  
Amanda J. Neukirch ◽  
Søren V. Hoffmann ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Small Molecules ◽  
Mandelic Acid ◽  
Circular Dichroism Spectra ◽  
Electronic Circular Dichroism ◽  
Computational Approaches ◽  
Anisotropy Spectra ◽  
Circular Dichroïsm ◽  
Vacuum Uv

Experimental and computational electronic circular dichroism spectra are used in conjunction with anisotropy spectra to chiroptically characterize mandelic acid and its derivatives into the vacuum UV.

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