Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution-Reference-Cited by-同舟云学术

Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution

Published:2020-03-12 Issue:14 Volume:124 Page:2792-2801
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Streckaite Simona¹^ORCID,Macernis Mindaugas²,Li Fei¹³,Kuthanová Trsková Eliška⁴⁵,Litvin Radek⁶⁴,Yang Chunhong³,Pascal Andrew A.¹,Valkunas Leonas²⁷^ORCID,Robert Bruno¹,Llansola-Portoles Manuel J.¹^ORCID

Affiliation:

1. Université Paris-Saclay, CEA, CNRS, Institute for Integrative Biology of the Cell (I2BC), 91198 Gif-sur-Yvette, France

2. Institute of Chemical Physics, Faculty of Physics, Vilnius University, Saulėtekio Ave. 3, LT-10222 Vilnius, Lithuania

3. Key Laboratory of Photobiology, Institute of Botany, Chinese Academy of Sciences, 100093 Beijing, People’s Republic of China

4. Faculty of Science, University of South Bohemia, Branisovska 1760, 370 05 Ceske Budejovice, Czech Republic

5. Institute of Microbiology, Academy of Sciences of the Czech Republic, 379 81 Třeboň, Czech Republic

6. Biology Centre, Czech Academy of Sciences, Branisovska 31, 370 05 Ceske Budejovice, Czech Republic

7. Molecular Compounds Physics Department, Center for Physical Sciences and Technology, Sauletekio Ave. 3, LT-10257 Vilnius, Lithuania

Funder

Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy

Grantov? Agentura Cesk? Republiky

H2020 Marie Sklodowska-Curie Actions

French Infrastructure for Integrated Structural Biology

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b11536

Reference53 articles.

1. Nosé–Hoover chains: The canonical ensemble via continuous dynamics

2. Generalized Gradient Approximation Made Simple

3. Efficient pseudopotentials for plane-wave calculations

4. Quantum chemical excited state calculations on pigment–protein complexes require thorough geometry re-optimization of experimental crystal structures

5. Vibrational frequency prediction using density functional theory

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Molecular events accompanying aggregation-induced energy quenching in fucoxanthin-chlorophyll proteins;Biochimica et Biophysica Acta (BBA) - Bioenergetics;2024-11

2. Molecular events accompanying aggregation-induced energy quenching in Fucoxanthin-Chlorophyll Proteins;2024-03-23

3. Molecular and quantum mechanical insights of conformational dynamics of Maltosyl-β-Cyclodextrin/Formononetin supramolecular complexes;Journal of Molecular Liquids;2024-03

4. Milling Processing, Morphology, and Optical Characterization of Powders from Natural Pigments as a Potential Sensitizing Material for Optical Sensors and Dye-Sensitized Solar Cells;Nano;2024-02

5. DFT-based Raman spectral study of astaxanthin geometrical isomers;Food Chemistry: Molecular Sciences;2022-07