Comparative Molecular Dynamics Study of Aβ Adsorption on the Self-Assembled Monolayers

Langmuir ◽  
2010 ◽  
Vol 26 (5) ◽  
pp. 3308-3316 ◽  
Author(s):  
Qiuming Wang ◽  
Chao Zhao ◽  
Jun Zhao ◽  
Jingdai Wang ◽  
Jui-Chen Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
The Self ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled

Molecular dynamics investigations of self-assembled monolayers

1991 ◽  
Vol 87 (13) ◽  
pp. 2031 ◽  
Author(s):  
Joseph Hautman ◽  
James P. Bareman ◽  
Wen Mar ◽  
Michael L. Klein
Keyword(s):  
Molecular Dynamics ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled

Molecular dynamics of self-assembled monolayers of functionalized alkanethiols for protein adsorption

2009 ◽  
Author(s):  
B. Szefczyk ◽  
M. N. D. S. Cordeiro ◽  
J. A. N. F. Gomes ◽  
Joaquín Marro ◽  
Pedro L. Garrido ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Protein Adsorption ◽  
Self Assembled Monolayers ◽  
Assembled Monolayers ◽  
Self Assembled

Computational and experimental approach to understanding the structural interplay of self-assembled end-terminated alkanethiolates on gold surfaces

2019 ◽  
Vol 21 (42) ◽  
pp. 23320-23328 ◽  
Author(s):  
Juganta K. Roy ◽  
Erick S. Vasquez ◽  
Henry P. Pinto ◽  
Swati Kumari ◽  
Keisha B. Walters ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Ab Initio ◽  
Experimental Approach ◽  
Molecular Organization ◽  
Self Assembled Monolayers ◽  
Density Functionals ◽  
Gold Surfaces ◽  
Assembled Monolayers ◽  
Self Assembled

Molecular organization dictates phases, stability and subsequent electronic structure of self-assembled monolayers. With appropriate density functionals, ab initio molecular dynamics (AIMD) simulations predicted and elucidated experimental orientations.

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