scholarly journals An Integrated Mass Spectrometry and Molecular Dynamics Simulations Approach Reveals the Spatial Organization Impact of Metal-Binding Sites on the Stability of Metal-Depleted Metallothionein-2 Species

2021 ◽  
Vol 143 (40) ◽  
pp. 16486-16501
Author(s):  
Manuel David Peris-Díaz ◽  
Roman Guran ◽  
Carmen Domene ◽  
Vivian de los Rios ◽  
Ondrej Zitka ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Binding ◽  
Binding Sites ◽  
Spatial Organization ◽  
Metal Binding Sites ◽  
The Stability ◽  
Dynamics Simulations

New molecular insights into the stability of Ni–Pd hollow nanoparticles

2017 ◽  
Vol 4 (10) ◽  
pp. 1679-1690 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermal Behavior ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Hollow Nanoparticles ◽  
The Stability ◽  
Dynamics Simulations

Molecular dynamics simulations were used to investigate the structural evolution and thermal behavior of Ni–Pd hollow nanoparticles.

scholarly journals Mass Spectrometry-Based Structural Analysis of Cysteine-Rich Metal-Binding Sites in Proteins with MetaOdysseus R Software

2020 ◽  
Vol 20 (1) ◽  
pp. 776-785 ◽  
Author(s):  
Manuel David Peris-Díaz ◽  
Roman Guran ◽  
Ondrej Zitka ◽  
Vojtech Adam ◽  
Artur Krężel
Keyword(s):  
Mass Spectrometry ◽  
Structural Analysis ◽  
Metal Binding ◽  
Binding Sites ◽  
R Software ◽  
Metal Binding Sites

scholarly journals Molecular Dynamics Simulations of Kir2.2 and Cholesterol Reveal State- and Concentration-Dependent Binding Sites

2019 ◽  
Vol 116 (3) ◽  
pp. 41a
Author(s):  
Nicolas Barbera ◽  
Manuela A. Ayee ◽  
Belinda S. Akpa ◽  
Irena Levitan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binding Sites ◽  
Dynamics Simulations

scholarly journals Investigating Cryptic Binding Sites by Molecular Dynamics Simulations

2020 ◽  
Vol 53 (3) ◽  
pp. 654-661 ◽  
Author(s):  
Antonija Kuzmanic ◽  
Gregory R. Bowman ◽  
Jordi Juarez-Jimenez ◽  
Julien Michel ◽  
Francesco L. Gervasio
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binding Sites ◽  
Cryptic Binding Sites ◽  
Dynamics Simulations
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