Molecular dynamics simulation of water-ethanol separation through monolayer graphene oxide membranes: Significant role of O/C ratio and pore size

Separation and Purification Technology ◽

10.1016/j.seppur.2019.05.030 ◽

2019 ◽

Vol 224 ◽

pp. 219-226 ◽

Author(s):

Quan Liu ◽

Yuanyan Wu ◽

Xian Wang ◽

Gongping Liu ◽

Yudan Zhu ◽

...

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Pore Size ◽

Significant Role ◽

Dynamics Simulation ◽

Monolayer Graphene ◽

Oxide Membranes ◽

Graphene Oxide Membranes

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Understanding the effect of hydroxyl/epoxy group on water desalination through lamellar graphene oxide membranes via molecular dynamics simulation

Desalination ◽

10.1016/j.desal.2020.114560 ◽

2020 ◽

Vol 491 ◽

pp. 114560 ◽

Author(s):

Chen Chen ◽

Lingjie Jia ◽

Jiachen Li ◽

Li Zhang ◽

Lijun Liang ◽

...

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Epoxy Group ◽

Water Desalination ◽

Dynamics Simulation ◽

Oxide Membranes ◽

Graphene Oxide Membranes

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CO2/N2 separation via multilayer nanoslit graphene oxide membranes: Molecular dynamics simulation study

Computational Materials Science ◽

10.1016/j.commatsci.2017.09.010 ◽

2017 ◽

Vol 140 ◽

pp. 284-289 ◽

Author(s):

Pan Wang ◽

Wen Li ◽

Congcong Du ◽

Xin Zheng ◽

Xiaoli Sun ◽

...

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Oxide Membranes ◽

Graphene Oxide Membranes

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Energy landscape of amyloidogenic peptide oligomerization by parallel-tempering molecular dynamics simulation: Significant role of Asn ladder

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.0408653102 ◽

2005 ◽

Vol 102 (23) ◽

pp. 8174-8179 ◽

Author(s):

H.-H. Tsai ◽

M. Reches ◽

C.-J. Tsai ◽

K. Gunasekaran ◽

E. Gazit ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Significant Role ◽

Energy Landscape ◽

Dynamics Simulation ◽

Parallel Tempering

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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Faculty Opinions recommendation of Role of cholesterol and polyunsaturated chains in lipid-protein interactions: molecular dynamics simulation of rhodopsin in a realistic membrane environment.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1025182.297783 ◽

2005 ◽

Author(s):

Tetsuji Okada

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Protein Interactions ◽

Dynamics Simulation ◽

Lipid Protein Interactions

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Molecular Dynamics Simulation of Key Physical Properties of Graphene Oxide / Epoxy Resin Nanocomposite Dielectrics

2020 IEEE International Conference on High Voltage Engineering and Application (ICHVE) ◽

10.1109/ichve49031.2020.9279620 ◽

2020 ◽

Author(s):

Tianyu Wang ◽

Dayu Li ◽

Yicen Hou ◽

Guixin Zhang

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Physical Properties ◽

Epoxy Resin ◽

Dynamics Simulation

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DFT Calculations and Molecular Dynamics Simulation Study on the Adsorption of 5-Fluorouracil Anticancer Drug on Graphene Oxide Nanosheet as a Drug Delivery Vehicle

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-017-0525-9 ◽

2017 ◽

Vol 27 (3) ◽

pp. 805-817 ◽

Author(s):

Fatemeh Safdari ◽

Heidar Raissi ◽

Mahnaz Shahabi ◽

Maryam Zaboli

Keyword(s):

Drug Delivery ◽

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Dft Calculations ◽

Anticancer Drug ◽

Simulation Study ◽

Dynamics Simulation ◽

Delivery Vehicle ◽

Graphene Oxide Nanosheet

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The role of temperature and solvent microenvironment on the activity of Yarrowia lipolytica Lipase 2: Insights from molecular dynamics simulation

Journal of Molecular Catalysis B Enzymatic ◽

10.1016/j.molcatb.2014.08.013 ◽

2014 ◽

Vol 109 ◽

pp. 101-108 ◽

Author(s):

Hao Cao ◽

Li Deng ◽

Ming Lei ◽

Fang Wang ◽

Tianwei Tan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Yarrowia Lipolytica ◽

Dynamics Simulation

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Molecular dynamics simulation of the role of hydrogenated Si clusters for fast rate mesoplasma epitaxy

Journal of Physics D Applied Physics ◽

10.1088/0022-3727/46/42/425302 ◽

2013 ◽

Vol 46 (42) ◽

pp. 425302 ◽

Author(s):

L W Chen ◽

Y Shibuta ◽

M Kambara ◽

T Yoshida

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Fast Rate ◽

Dynamics Simulation

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The theoretical study of mechanical property and thermostability analysis of poly(vinyl alcohol)/graphene oxide nanofiber composites with different architecture: Molecular dynamics simulation

Polymer Composites ◽

10.1002/pc.26314 ◽

2021 ◽

Vol 42 (12) ◽

pp. 6478-6487

Author(s):

Yuhua Wang ◽

Weihua Wang ◽

Ge Yang ◽

Zhiqiang Zhang ◽

Ping Li

Keyword(s):

Mechanical Property ◽

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Vinyl Alcohol ◽

Theoretical Study ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol

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