Kirkwood–Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields

2015 ◽  
Vol 119 (25) ◽  
pp. 7975-7984 ◽  
Author(s):  
Davide Mercadante ◽  
Sigrid Milles ◽  
Gustavo Fuertes ◽  
Dmitri I. Svergun ◽  
Edward A. Lemke ◽  
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Keyword(s):  
Force Fields ◽  
Disordered Protein ◽  
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 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 ◽  
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Keyword(s):  
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Force Fields ◽  
Protein Force Fields

scholarly journals Developing Force Fields for the Accurate Simulation of Both Ordered and Disordered Protein States

2017 ◽  
Vol 112 (3) ◽  
pp. 175a ◽  
Author(s):  
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Stefano Piana ◽  
David E. Shaw
Keyword(s):  
Force Fields ◽  
Disordered Protein
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