Insights on choline chloride–based deep eutectic solvent (reline) + primary alcohol mixtures: a molecular dynamics simulation study

Simulation Study ◽

Choline Chloride ◽

Primary Alcohol ◽

Deep Eutectic Solvent ◽

Dynamics Simulation ◽

Alcohol Mixtures

Effect of Hydrated and Nonhydrated Choline Chloride–Urea Deep Eutectic Solvent (Reline) on Thrombin-Binding G-quadruplex Aptamer (TBA): A Classical Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b01111 ◽

2019 ◽

Vol 123 (18) ◽

pp. 11686-11698 ◽

Cited By ~ 8

Author(s):

Saikat Pal ◽

Sandip Paul

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Choline Chloride ◽

Deep Eutectic Solvent ◽

Dynamics Simulation ◽

Classical Molecular Dynamics ◽

G Quadruplex

Phase separation property of a hydrophobic deep eutectic solvent–water binary mixture: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/5.0052200 ◽

2021 ◽

Vol 154 (24) ◽

pp. 244504

Author(s):

Rabindranath Paul ◽

Aritra Mitra ◽

Sandip Paul

Keyword(s):

Molecular Dynamics ◽

Phase Separation ◽

Binary Mixture ◽

Simulation Study ◽

Deep Eutectic Solvent ◽

Dynamics Simulation ◽

Separation Property ◽

Solvent Water

How a protein can remain stable in a solvent with high content of urea: insights from molecular dynamics simulation of Candida antarctica lipase B in urea : choline chloride deep eutectic solvent

Physical Chemistry Chemical Physics ◽

10.1039/c4cp00503a ◽

2014 ◽

Vol 16 (28) ◽

pp. 14882 ◽

Cited By ~ 100

Author(s):

Hassan Monhemi ◽

Mohammad Reza Housaindokht ◽

Ali Akbar Moosavi-Movahedi ◽

Mohammad Reza Bozorgmehr

Keyword(s):

Molecular Dynamics ◽

Choline Chloride ◽

Deep Eutectic Solvent ◽

Candida Antarctica ◽

Candida Antarctica Lipase B ◽

Dynamics Simulation ◽

Candida Antarctica Lipase ◽

Lipase B

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 ◽

Iron coordination to pyochelin siderophore influences dynamics of FptA receptor from Pseudomonas aeruginosa: a molecular dynamics simulation study

BioMetals ◽

10.1007/s10534-021-00332-x ◽

2021 ◽

Author(s):

Sana Manzoor ◽

Ayaz Ahmed ◽

Syed Tarique Moin

Keyword(s):

Molecular Dynamics ◽

Pseudomonas Aeruginosa ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Coordination