The Dependence of Amyloid-β Dynamics on Protein Force Fields and Water Models

ChemPhysChem ◽  
2015 ◽  
Vol 16 (15) ◽  
pp. 3278-3289 ◽  
Author(s):  
Arun Kumar Somavarapu ◽  
Kasper P. Kepp
Keyword(s):  
Force Fields ◽  
Amyloid Β ◽  
Water Models ◽  
Protein Force Fields

scholarly journals Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces

2012 ◽  
Vol 7 (1) ◽  
pp. 24 ◽  
Author(s):  
Galen Collier ◽  
Nadeem A. Vellore ◽  
Jeremy A. Yancey ◽  
Steven J. Stuart ◽  
Robert A. Latour
Keyword(s):  
Force Fields ◽  
Adsorption Behavior ◽  
Functionalized Surfaces ◽  
Protein Force Fields

scholarly journals Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models

2010 ◽  
Vol 114 (40) ◽  
pp. 12811-12824 ◽  
Author(s):  
David S. Cerutti ◽  
Peter L. Freddolino ◽  
Robert E. Duke ◽  
David A. Case
Keyword(s):  
High Resolution ◽  
Force Fields ◽  
Protein Crystal ◽  
X Ray ◽  
Water Models ◽  
Structure Evaluation

scholarly journals Evolution of All-Atom Protein Force Fields to Improve Local and Global Properties

2019 ◽  
Vol 10 (9) ◽  
pp. 2227-2234 ◽  
Author(s):  
Gül H. Zerze ◽  
Wenwei Zheng ◽  
Robert B. Best ◽  
Jeetain Mittal
Keyword(s):  
Force Fields ◽  
Global Properties ◽  
Protein Force Fields

scholarly journals Systematic Validation of Protein Force Fields against Experimental Data

PLoS ONE ◽  
2012 ◽  
Vol 7 (2) ◽  
pp. e32131 ◽  
Author(s):  
Kresten Lindorff-Larsen ◽  
Paul Maragakis ◽  
Stefano Piana ◽  
Michael P. Eastwood ◽  
Ron O. Dror ◽  
...  
Keyword(s):  
Experimental Data ◽  
Force Fields ◽  
Protein Force Fields
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