Elucidating TH301's influence on the torsion angle of CRY1 W399 using replica exchange with solute tempering (REST) molecular dynamics (MD) simulations-Reference-Cited by-同舟云学术

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Elucidating TH301's influence on the torsion angle of CRY1 W399 using replica exchange with solute tempering (REST) molecular dynamics (MD) simulations

Published:2023 Issue:47 Volume:25 Page:32648-32655
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cho Yeongrae¹²^ORCID,Li Kexin¹²,Lee Jin Hyup³²,Pack Seung Pil¹²^ORCID,Cho Art E.¹²^ORCID

Affiliation:

1. Department of Bioinformatics, Korea University, 2511 Sejong-ro, Sejong, 30119, Korea

2. Biological Clock-based Anti-aging Convergence RLRC, Korea University, Sejong, Republic of Korea

3. Department of Food and Biotechnology, 2511 Sejong-ro, Sejong, 30119, Korea

Abstract

The torsion angle of CRY1's W399 during the MD simulation.

Funder

National Research Foundation of Korea

Korea Environmental Industry and Technology Institute

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP04092E

Reference27 articles.

1. Interactivating Feedback Loops within the Mammalian Clock: BMAL1 Is Negatively Autoregulated and Upregulated by CRY1, CRY2, and PER2

2. Conditional Controlled Light/Dark Cycle Influences Exercise-Induced Benefits in a Rat Model with Osteoarthritis: In Vitro and In Vivo Study

3. Circadian rhythms in innate immunity and stress responses

4. Circadian clock genes as promising therapeutic targets for autoimmune diseases

5. Crystal structure of mammalian cryptochrome in complex with a small molecule competitor of its ubiquitin ligase

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