Atomistic molecular dynamics simulation study on the mechanical behavior and dispersion of surface functionalized graphene/polypropylene nanocomposites

Mechanical Behavior ◽

Simulation Study ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Polypropylene Nanocomposites

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/acs.macromol.5b01782 ◽

2015 ◽

Vol 48 (24) ◽

pp. 9024-9038 ◽

Cited By ~ 33

Author(s):

Petra Bačová ◽

Anastassia N. Rissanou ◽

Vagelis Harmandaris

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Functionalized Graphene

Steered Molecular Dynamics Simulation Study of Quantified Effects of Point Mutation Induced by Breast Cancer on Mechanical Behavior of E-Cadherin

Molecular Biology ◽

10.1134/s0026893318050047 ◽

2018 ◽

Vol 52 (5) ◽

pp. 723-731 ◽

Cited By ~ 2

Author(s):

Sh. Azadi ◽

M. Tafazzoli-Shadpour ◽

R. Omidvar

Keyword(s):

Breast Cancer ◽

Molecular Dynamics ◽

Mechanical Behavior ◽

Point Mutation ◽

Simulation Study ◽

Steered Molecular Dynamics ◽

Dynamics Simulation ◽

Steered Molecular Dynamics Simulation ◽

E Cadherin

Mechanical Behavior of Actin and Spectrin Subjected to High Strain Rate: a Molecular Dynamics Simulation Study

Computational and Structural Biotechnology Journal ◽

10.1016/j.csbj.2021.03.026 ◽

2021 ◽

Author(s):

Md Ishak Khan ◽

Sheikh Fahad Ferdous ◽

Ashfaq Adnan

Keyword(s):

Molecular Dynamics ◽

High Strain Rate ◽

Strain Rate ◽

Mechanical Behavior ◽

Simulation Study ◽

High Strain ◽

Molecular dynamics simulation and finite element analysis on mechanical behavior of oxygen functionalized graphene/polymer nanocomposites

Journal of Mechanical Science and Technology ◽

10.1007/s12206-018-1230-5 ◽

2019 ◽

Vol 33 (1) ◽

pp. 307-314 ◽

Cited By ~ 9

Author(s):

Seunghwa Yang ◽

Hyunseong Shin ◽

Maenghyo Cho

Keyword(s):

Molecular Dynamics ◽

Finite Element Analysis ◽

Finite Element ◽

Mechanical Behavior ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Element Analysis

2SA3-03 Mechanical Behavior of Actin Filaments : Molecular Dynamics Simulation Study(2SA3 Structural and functional analysis of actin filament dynamics,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s12_2 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S12

Author(s):

Taiji Adachi ◽

Shinji Matsushita ◽

Yasuhiro Inoue ◽

Masaki Hojo ◽

Masahiro Sokabe

Keyword(s):

Molecular Dynamics ◽

Functional Analysis ◽

Mechanical Behavior ◽

Annual Meeting ◽

Simulation Study ◽

Actin Filaments ◽

Dynamics Simulation ◽

Filament Dynamics ◽

Biophysical Society

Functionalized graphene as a nanostructured membrane for removal of copper and mercury from aqueous solution: A molecular dynamics simulation study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2014.07.013 ◽

2014 ◽

Vol 53 ◽

pp. 112-117 ◽

Cited By ~ 37

Author(s):

Jafar Azamat ◽

Alireza Khataee ◽

Sang Woo Joo

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Simulation Study ◽

Dynamics Simulation ◽

Functionalized Graphene

Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽