Computational investigation on DNA sequencing using functionalized graphene nanopores

You-sheng Yu; Xiang Lu; Hong-ming Ding; Yu-qiang Ma

doi:10.1039/c7cp07462j

Computational investigation on DNA sequencing using functionalized graphene nanopores

Physical Chemistry Chemical Physics ◽

10.1039/c7cp07462j ◽

2018 ◽

Vol 20 (14) ◽

pp. 9063-9069 ◽

Cited By ~ 9

Author(s):

You-sheng Yu ◽

Xiang Lu ◽

Hong-ming Ding ◽

Yu-qiang Ma

Keyword(s):

Dna Sequencing ◽

Molecular Dynamic ◽

Underlying Mechanism ◽

New Method ◽

Dna Bases ◽

Molecular Dynamic Simulations ◽

Functionalized Graphene ◽

Computational Investigation ◽

Dynamic Simulations

Using all-atom molecular dynamic simulations, we herein not only propose a new method for efficient DNA sequencing using functionalized graphene nanopores, but also reveal the underlying mechanism of interactions among ions, DNA bases and functionalized graphene.

Download Full-text

Molecular dynamic simulations investigating the wetting and interfacial properties of acrylonitrile nanodroplets in contact with variously functionalized graphene sheets

Chemical Physics Letters ◽

10.1016/j.cplett.2019.137023 ◽

2020 ◽

Vol 739 ◽

pp. 137023

Author(s):

Kun Li ◽

Boqin Gu

Keyword(s):

Molecular Dynamic ◽

Interfacial Properties ◽

Graphene Sheets ◽

Molecular Dynamic Simulations ◽

Functionalized Graphene ◽

Dynamic Simulations

Download Full-text

Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.03.118 ◽

2017 ◽

Vol 237 ◽

pp. 81-88 ◽

Cited By ~ 13

Author(s):

S. Tolosa ◽

J.P. Sánchez ◽

J.A. Sansón ◽

A. Hidalgo

Keyword(s):

Molecular Dynamic ◽

Dna Bases ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Tautomeric Equilibria

Download Full-text

“Plate-anchor” shaped POSS-functionalized graphene oxide with self-fixing effect in polyimide matrix: Molecular dynamic simulations and experimental analysis

Composites Science and Technology ◽

10.1016/j.compscitech.2019.04.007 ◽

2019 ◽

Vol 176 ◽

pp. 103-110 ◽

Cited By ~ 4

Author(s):

Rui Yuan ◽

Li Ji ◽

Yanping Wu ◽

Hongxuan Li ◽

Pengfei Ju ◽

...

Keyword(s):

Graphene Oxide ◽

Molecular Dynamic ◽

Experimental Analysis ◽

Molecular Dynamic Simulations ◽

Functionalized Graphene ◽

Dynamic Simulations ◽

Functionalized Graphene Oxide ◽

Plate Anchor ◽

Polyimide Matrix

Download Full-text

Self-Enhanced Catalytic Activities of Functionalized Graphene Sheets in the Combustion of Nitromethane: Molecular Dynamic Simulations by Molecular Reactive Force Field

ACS Applied Materials & Interfaces ◽

10.1021/am501562m ◽

2014 ◽

Vol 6 (15) ◽

pp. 12235-12244 ◽

Cited By ~ 34

Author(s):

Chaoyang Zhang ◽

Yushi Wen ◽

Xianggui Xue

Keyword(s):

Force Field ◽

Molecular Dynamic ◽

Graphene Sheets ◽

Molecular Dynamic Simulations ◽

Functionalized Graphene ◽

Reactive Force ◽

Reactive Force Field ◽

Dynamic Simulations ◽

Catalytic Activities

Download Full-text

Antimicrobial and Cell-Penetrating Peptides: Structure, Assembly and Mechanisms of Membrane Lysis via Atomistic and Coarse-Grained Molecular Dynamic Simulations

Protein and Peptide Letters ◽

10.2174/0929866511009011313 ◽

2010 ◽

Vol 17 (11) ◽

pp. 1313-1327 ◽

Cited By ~ 30

Author(s):

Peter J. Bond ◽

Syma Khalid

Keyword(s):

Molecular Dynamic ◽

Cell Penetrating Peptides ◽

Coarse Grained ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Membrane Lysis ◽

Cell Penetrating ◽

Structure Assembly

Download Full-text

Ranking the Efficiency of Gas Hydrate Anti-agglomerants through Molecular Dynamic Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c08969 ◽

2021 ◽

Vol 125 (5) ◽

pp. 1487-1502

Author(s):

Stephan Mohr ◽

Felix Hoevelmann ◽

Jonathan Wylde ◽

Natascha Schelero ◽

Juan Sarria ◽

...

Keyword(s):

Molecular Dynamic ◽

Gas Hydrate ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

Download Full-text

Inelastic contact behaviors of nanosized single-asperity and multi-asperity on α-Fe surface: Molecular dynamic simulations

International Journal of Mechanical Sciences ◽

10.1016/j.ijmecsci.2021.106569 ◽

2021 ◽

pp. 106569

Author(s):

Wenzhen Xie ◽

Chao Liu ◽

Dongxiang Jiang ◽

Jianfeng Jin

Keyword(s):

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Single Asperity

Download Full-text

Glycerol revisited molecular dynamic simulations of structural, dynamical, and thermodynamic properties

Journal of the Iranian Chemical Society ◽

10.1007/s13738-016-0952-5 ◽

2016 ◽

Vol 14 (1) ◽

pp. 1-7 ◽

Cited By ~ 4

Author(s):

Monireh B. Moghaddam ◽

Elaheh K. Goharshadi ◽

Fatemeh Moosavi

Keyword(s):

Thermodynamic Properties ◽

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

Download Full-text

Construction of a coal char model and its combustion and gasification characteristics: Molecular dynamic simulations based on ReaxFF

Fuel ◽

10.1016/j.fuel.2021.120972 ◽

2021 ◽

Vol 300 ◽

pp. 120972

Author(s):

Dikun Hong ◽

Liang Liu ◽

Chunbo Wang ◽

Ting Si ◽

Xin Guo

Keyword(s):

Molecular Dynamic ◽

Coal Char ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations

Download Full-text

Effect of interlayer cations on montmorillonite swelling: Comparison between molecular dynamic simulations and experiments

Applied Clay Science ◽

10.1016/j.clay.2021.106034 ◽

2021 ◽

Vol 204 ◽

pp. 106034

Author(s):

Kenji Yotsuji ◽

Yukio Tachi ◽

Hiroshi Sakuma ◽

Katsuyuki Kawamura

Keyword(s):

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Interlayer Cations

Download Full-text