Thermodynamic and structural properties of methane/water systems at the threshold of hydrate formation predicted by molecular dynamic simulations

Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulations

The Journal of Chemical Physics ◽

10.1063/1.5078739 ◽

2019 ◽

Vol 150 (11) ◽

pp. 114703 ◽

Cited By ~ 8

Author(s):

Parisa Naeiji ◽

Tom K. Woo ◽

Saman Alavi ◽

Farshad Varaminian ◽

Ryo Ohmura

Keyword(s):

Molecular Dynamic ◽

Interfacial Properties ◽

Water Systems ◽

Investigating the structural properties of the active conformation BTL2 of a lipase from Geobacillus thermocatenulatus in toluene using molecular dynamic simulations and engineering BTL2 via in-silico mutation

Journal of Molecular Modeling ◽

10.1007/s00894-018-3753-1 ◽

2018 ◽

Vol 24 (9) ◽

Cited By ~ 4

Author(s):

Aslı Yenenler ◽

Alessandro Venturini ◽

Huseyin Cahit Burduroglu ◽

Osman Uğur Sezerman

Keyword(s):

Molecular Dynamic ◽

Structural Properties ◽

In Silico ◽

Active Conformation ◽

Dynamic Simulations ◽

Geobacillus Thermocatenulatus

All-Atom Molecular Dynamic Simulations and Relative NMR Spectra Study of Weak C−H···O Contacts in Amide−Water Systems

The Journal of Physical Chemistry B ◽

10.1021/jp044566b ◽

2005 ◽

Vol 109 (15) ◽

pp. 7482-7487 ◽

Cited By ~ 41

Author(s):

Rong Zhang ◽

Haoran Li ◽

Yi Lei ◽

Shijun Han

Keyword(s):

Molecular Dynamic ◽

Nmr Spectra ◽

Water Systems ◽

Structural properties of CuAu nanoparticles with different type. Molecular dynamic simulations

Journal of Physics Conference Series ◽

10.1088/1742-6596/1015/3/032022 ◽

2018 ◽

Vol 1015 ◽

pp. 032022

Author(s):

I V Chepkasov ◽

V S Baidyshev ◽

A Y Baev

Keyword(s):

Molecular Dynamic ◽

Structural Properties ◽

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 ◽

Dynamic Simulations ◽

Membrane Lysis ◽

Cell Penetrating ◽

Structure Assembly

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 ◽

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 ◽

Dynamic Simulations ◽

Single Asperity

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 ◽

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 ◽

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 ◽

Dynamic Simulations ◽

Interlayer Cations