Infrared spectroscopy from electrostatic embedding QM/MM: local normal mode analysis of infrared spectra of arabidopsis thaliana plant cryptochrome-Reference-Cited by-同舟云学术

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Infrared spectroscopy from electrostatic embedding QM/MM: local normal mode analysis of infrared spectra of arabidopsis thaliana plant cryptochrome

Published:2021 Issue:2 Volume:23 Page:1666-1674
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Huix-Rotllant Miquel¹²³⁴⁵^ORCID,Schwinn Karno¹²³⁴⁵,Ferré Nicolas¹²³⁴⁵^ORCID

Affiliation:

1. Aix-Marseille Univ

2. CNRS

3. ICR

4. Marseille

5. France

Abstract

Combined QM/MM Hessians and local normal mode analysis are powerful tools to simulate and interpret complex IR spectra of biological macromolecules.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06070D

Reference59 articles.

1. What vibrations tell about proteins

2. B. H. Stuart , Infrared Spectroscopy of Biological Applications: An Overview , American Cancer Society , 2012 , pp. 1–17

3. Applications of infrared spectroscopy to biology and medicine

4. 2D-IR spectroscopy: ultrafast insights into biomolecule structure and function

5. M. L. Groot and R.Van Grondelle , Femtosecond Time-Resolved Infrared Spectroscopy , Springer , Netherlands, Dordrecht , 2008 , pp. 191–200

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