PM-11Lattice Strain Analysis in Gold Nanorods by Means of Atomic Resolution HAADF-STEM Experiments and Molecular Dynamics Simulations

Microscopy ◽  
2017 ◽  
Vol 66 (suppl_1) ◽  
pp. i23-i23
Author(s):  
Kohei Aso ◽  
Jens Maebe ◽  
Tomokazu Yamamoto ◽  
Koji Shigematsu ◽  
Syo Matsumura
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Gold Nanorods ◽  
Strain Analysis ◽  
Atomic Resolution ◽  
Dynamics Simulations

scholarly journals The rupture mechanism of rubredoxin is more complex than previously thought

2020 ◽  
Vol 11 (23) ◽  
pp. 6036-6044
Author(s):  
Maximilian Scheurer ◽  
Andreas Dreuw ◽  
Martin Head-Gordon ◽  
Tim Stauch
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Strain Analysis ◽  
Rupture Force ◽  
Iron Sulfur ◽  
Hydrogen Bond Networks ◽  
Dynamics Simulations ◽  
Rupture Mechanism ◽  
Sulfur Bond

Using steered molecular dynamics simulations and strain analysis it is shown that, in contrast to previous assumptions, the experimentally found low rupture force of the iron–sulfur-bond in rubredoxin cannot be explained by hydrogen bond networks.

scholarly journals Amylin–Aβ oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's disease

2016 ◽  
Vol 18 (4) ◽  
pp. 2330-2338 ◽  
Author(s):  
Michal Baram ◽  
Yoav Atsmon-Raz ◽  
Buyong Ma ◽  
Ruth Nussinov ◽  
Yifat Miller
Keyword(s):  
Alzheimer’S Disease ◽  
Type 2 Diabetes ◽  
Alzheimer's Disease ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Layer ◽  
Atomic Resolution ◽  
Aβ Oligomers ◽  
Dynamics Simulations

Aβ1–42 oligomers prefer to interact with Amylin1–37 oligomers to form single layer conformations.

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

Soft Matter ◽  
2012 ◽  
Vol 8 (34) ◽  
pp. 9005 ◽  
Author(s):  
Pilar Brocos ◽  
Paola Mendoza-Espinosa ◽  
Rolando Castillo ◽  
Jaime Mas-Oliva ◽  
Ángel Piñeiro
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Atomic Resolution ◽  
Coarse Grain ◽  
Dynamics Simulations
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