Molecular dynamics simulation study on characterization of bis(triethoxysilyl)-ethane and bis(triethoxysilyl)ethylene derived silica-based membranes

Simulation Study ◽

Characterization of the Reduced and Oxidized Polypyrrole/Water Interface: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp027717o ◽

2003 ◽

Vol 107 (35) ◽

pp. 9339-9343 ◽

Cited By ~ 29

Author(s):

J. J. López Cascales ◽

A. J. Fernández ◽

T. F. Otero

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Water Interface

Dynamic characterization of HLA-B*44 Alleles: A comparative molecular dynamics simulation study

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2016.02.019 ◽

2016 ◽

Vol 62 ◽

pp. 12-16 ◽

Cited By ~ 3

Author(s):

Pemra Ozbek

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Dynamic Characterization

Structural and Dynamic Characterization of Mutated Keap1 for Varied Affinity toward Nrf2: A Molecular Dynamics Simulation Study

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.5b00300 ◽

2015 ◽

Vol 55 (10) ◽

pp. 2178-2186 ◽

Cited By ~ 5

Author(s):

I-Chung Cheng ◽

Ya-Jyun Chen ◽

Chia-Wei Ku ◽

Yu-Wen Huang ◽

Chia-Ning Yang

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Dynamic Characterization

Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

PLoS Computational Biology ◽

10.1371/journal.pcbi.1003748 ◽

2014 ◽

Vol 10 (8) ◽

pp. e1003748 ◽

Cited By ~ 27

Author(s):

Bernhard Knapp ◽

James Dunbar ◽

Charlotte M. Deane

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Large Scale ◽

Peptide Ligands ◽

Dynamics Simulation ◽

Altered Peptide Ligands ◽

Scale Characterization

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 ◽

Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽