scholarly journals Probing α/β Balances in Modified Amber Force Fields from a Molecular Dynamics Study on a ββα Model Protein (1FSD)

2014 ◽  
Vol 35 (6) ◽  
pp. 1713-1719 ◽  
Author(s):  
Changwon Yang ◽  
Eunae Kim ◽  
Youngshang Pak
Keyword(s):  
Molecular Dynamics ◽  
Force Fields ◽  
Model Protein ◽  
Amber Force Fields

scholarly journals Development of a Force Field Topology Database for Detergents for Molecular Dynamics Simulations with the Amber Force Fields

2012 ◽  
Vol 102 (3) ◽  
pp. 395a-396a
Author(s):  
Stéphane Abel ◽  
François-Yves Dupradeau ◽  
Beatrice de Foresta ◽  
Massimo Marchi
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Dynamics Simulations ◽  
Amber Force Fields

Assessment of AMBER Force Fields for Simulations of ssDNA

2021 ◽  
Vol 17 (2) ◽  
pp. 1208-1217
Author(s):  
Thomas J. Oweida ◽  
Ho Shin Kim ◽  
Johnny M. Donald ◽  
Abhishek Singh ◽  
Yaroslava G. Yingling
Keyword(s):  
Force Fields ◽  
Amber Force Fields

scholarly journals High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

2021 ◽  
Author(s):  
Théo Jaffrelot Inizan ◽  
Frédéric Célerse ◽  
Olivier Adjoua ◽  
Dina El Ahdab ◽  
Luc-Henri Jolly ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Resolution ◽  
Adaptive Sampling ◽  
Force Fields ◽  
Sampling Strategy ◽  
Md Simulations ◽  
Conformational Space ◽  
Many Body ◽  
Polarizable Force Fields ◽  
Main Protease

We provide an unsupervised adaptive sampling strategy capable of producing μs-timescale molecular dynamics (MD) simulations of large biosystems using many-body polarizable force fields (PFFs).

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