A mechanistic insight into the amyloidogenic structure of hIAPP peptide revealed from sequence analysis and molecular dynamics simulation

2012 ◽  
Vol 168-169 ◽  
pp. 1-9 ◽  
Author(s):  
Sandipan Chakraborty ◽  
Barnali Chatterjee ◽  
Soumalee Basu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Sequence Analysis ◽  
Dynamics Simulation ◽  
Mechanistic Insight ◽  
Insight Into

Mechanistic insight into the selective crystallization of the metastable polymorph of tolbutamide in ethanol–water solution

RSC Advances ◽  
2014 ◽  
Vol 4 (41) ◽  
pp. 21599-21607 ◽  
Author(s):  
Jinli Zhang ◽  
Yujia Wu ◽  
Anyuan Liu ◽  
Wei Li ◽  
You Han
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Water Solution ◽  
Dynamics Simulation ◽  
Mechanistic Insight ◽  
Selective Crystallization ◽  
Insight Into

A combined experimental and molecular dynamics simulation study discloses the effects of solvents and supersaturation on the tolbutamide polymorphs outcome.

The effect of amino substituents on the interactions of quinazolone derivatives with c-KIT G-quadruplex: insight from molecular dynamics simulation study for rational design of ligands

RSC Advances ◽  
2015 ◽  
Vol 5 (93) ◽  
pp. 76642-76650 ◽  
Author(s):  
Kiana Gholamjani Moghaddam ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Rational Design ◽  
Ligand Design ◽  
Dynamics Simulation ◽  
Rational Ligand Design ◽  
G Quadruplex ◽  
Ligand Interactions ◽  
Insight Into

Our study provides insight into the effect of different substituents on the G-quadruplex–ligand interactions which helps us rational ligand design.

Molecular Dynamics Simulation Insight into Interfacial Stability and Fluidity Properties of Microemulsions

Langmuir ◽  
2019 ◽  
Vol 35 (42) ◽  
pp. 13636-13645 ◽  
Author(s):  
Jule Ma ◽  
Xianyu Song ◽  
Jianhui Luo ◽  
Teng Zhao ◽  
Hongping Yu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Interfacial Stability ◽  
Insight Into
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