Simulation of DNA catenanes
Literature Information
Valentin V. Rybenkov
DNA catenanes are important objects in biology, foremost as they appear during replication of circular DNA molecules. In this review we analyze how conformational properties of DNA catenanes can be studied by computer simulation. We consider classification of catenanes, their topological invariants and the methods of calculation of these invariants. We briefly analyze the DNA model and the simulation procedure used to sample the equilibrium conformational ensemble of catenanes with a particular topology. We consider how to avoid direct simulation of many DNA molecules when we need to account for the linking–unlinking process. The simulation methods and their comparisons with experiments are illustrated by some examples. We also describe an approach that allows simulating the steady state fraction of DNA catenanes created by type II topoisomerases.
Recommended Journals

Journal of Medical Biochemistry

Contact Lens & Anterior Eye

Angewandte Chemie International Edition

Mini-Reviews in Medicinal Chemistry

Advanced Engineering Materials

Environmental Toxicology and Pharmacology

Nature Reviews Drug Discovery

Molecules

Journal of Enzyme inhibition and Medicinal Chemistry

Molecular Diversity
Related Literature
Structural stability and the electronic properties of a (SiH)2O-formed siloxene sheet: a computational study
Yanli Wang, Yi Ding
DOI: 10.1039/C7CP03250A
Metallomicelle templated transition metal nanostructures: synthesis, characterization, DFT study and catalytic activity
Ravneet Kaur, S. K. Mehta
DOI: 10.1039/C7CP02079A
Metal nanoinks as chemically stable surface enhanced scattering (SERS) probes for the analysis of blue BIC ballpoint pens
A. Alyami, D. Saviello, M. A. P. McAuliffe, A. Mirabile, D. Iacopino
DOI: 10.1039/C7CP01983A
Bio-inspired intelligent evaporation modulation in a thermo-sensitive nanogel colloid solution for self-thermoregulation
Kang Liu, Jun Zhou
DOI: 10.1039/C7CP03137H
Photoelectrical properties of CdS/CdSe core/shell QDs modified anatase TiO2 nanowires and their application for solar cells
Qingqing Qiu, Ping Wang, Lingling Xu, Yanhong Lin, Tengfeng Xie
DOI: 10.1039/C7CP02358H
Stoichiometric network analysis of spontaneous mirror symmetry breaking in chemical reactions
David Hochberg, Rubén D. Bourdon García, Jesús A. Ágreda Bastidas, Josep M. Ribó
DOI: 10.1039/C7CP02159C
Improved magnetic and magnetoelectric properties in BaFe12O19 nanostructures
Xingyu Xu, Ye Shao, Min Zhou, Xianming Ren
DOI: 10.1039/C7CP02276J
Predictive models of gas sorption in a metal–organic framework with open-metal sites and small pore sizes
Tony Pham, Katherine A. Forrest, Douglas M. Franz, Zhiyong Guo, Banglin Chen, Brian Space
DOI: 10.1039/C7CP02767B
Method to determine radiative and non-radiative defects applied to AgInS2–ZnS luminescent nanocrystals
G. Le Blevennec, F. Chandezon
DOI: 10.1039/C6CP06509K
Synergistic influence of inorganic oxides (ZrO2 and SiO2) with N2H4 to protect composite coatings obtained via plasma electrolyte oxidation on Mg alloy
Wail Al Zoubi, Muhammad Prisla Kamil, Young Gun Ko
DOI: 10.1039/C6CP07135J
You might also like
What is Ethyl 3-cyclohexylpropanoate (CAS: 10094-36-7)?
Ethyl 3-cyclohexylpropanoate is a clear, colorless to light yellow liquid with a...
How should waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)nicotinic acid (CAS: 34783-31-8) be handled?
Waste containing 2-(Hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl...
How should waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) be handled?
Waste containing 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine (CAS: 858-46-8) sho...
What precautions should be taken when handling Chloroac-nle-oh (CAS: 56787-36-1)?
When handling Chloroac-nle-oh (CAS: 56787-36-1), it is essential to wear appropr...
What industries use Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 752244-05-6)?
Ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate is primarily used in the...
Are there alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis?
Alternatives to alpha-(2-Bromophenyl)benzylamine (CAS: 55095-15-3) in synthesis ...
How should waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) be handled?
Waste containing 2-Chloro-5-methoxypyridine (CAS: 139585-48-1) should be managed...
What industries use 1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9)?
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole (CAS: 5044-27-9) is used in various ...
Are there alternatives to 3-Bromo-5-(N-Boc)aminomethylisoxazole (CAS: 903131-45-3) in synthesis?
There are alternative reagents and compounds that can be used in the synthesis o...
What is Tungsten(IV) oxide (CAS: 12036-22-5)?
Tungsten(IV) oxide, also known as tungsten dioxide, is a chemical compound with ...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.


![[2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane structure [2',6'-bis(propan-2-yloxy)-[1,1'-biphenyl]-3-yl]dicyclohexylphosphane structure](https://static.chemtradehub.com/structs/787/787618-22-8-dda2.webp)

