A perspective on the molecular simulation of DNA from structural and functional aspects

Manas Mondal; Lijiang Yang; Zhicheng Cai; Piya Patra; Yi Qin Gao

doi:10.1039/d0sc05329e

journal article Open Access Jan 01, 2021

A perspective on the molecular simulation of DNA from structural and functional aspects

Manas Mondal

Lijiang Yang

Zhicheng Cai Piya Patra Yi Qin Gao

Chemical Science Vol. 12 No. 15 pp. 5390-5409 · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d0sc05329e

Abstract

An overview of atomistic simulations on the effect of sequences, base modifications, environmental factors and protein binding on DNA’s hierarchical structure and dynamics in the context of protein–DNA interactions, gene regulation and structural organization of chromatin.

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Details

Published: Jan 01, 2021
Vol/Issue: 12(15)
Pages: 5390-5409
License: View

Authors

M

Manas Mondal

Institute of Systems and Physical Biology; Shenzhen Bay Laboratory; 518055 Shenzhen; China

L

Lijiang Yang

Beijing National Laboratory for Molecular Sciences; College of Chemistry and Molecular Engineering; Peking University; 100871 Beijing; China

Z

Zhicheng Cai

Beijing National Laboratory for Molecular Sciences; College of Chemistry and Molecular Engineering; Peking University; 100871 Beijing; China

P

Piya Patra

Institute of Systems and Physical Biology; Shenzhen Bay Laboratory; 518055 Shenzhen; China; Beijing National Laboratory for Molecular Sciences

Y

Yi Qin Gao

Institute of Systems and Physical Biology; Shenzhen Bay Laboratory; 518055 Shenzhen; China; Beijing National Laboratory for Molecular Sciences

Funding

National Natural Science Foundation of China Award: 92053202

Cite This Article

Manas Mondal, Lijiang Yang, Zhicheng Cai, et al. (2021). A perspective on the molecular simulation of DNA from structural and functional aspects. Chemical Science, 12(15), 5390-5409. https://doi.org/10.1039/d0sc05329e

A perspective on the molecular simulation of DNA from structural and functional aspects

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