scholarly journals Toward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural Network

2018 ◽  
Vol 15 (2) ◽  
pp. 1409-1417 ◽  
Author(s):  
Hao Wang ◽  
Weitao Yang
Keyword(s):  
Neural Network ◽  
Force Fields ◽  
Molecular Fragmentation ◽  
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

Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperatures

2019 ◽  
Vol 21 (12) ◽  
pp. 6506-6516 ◽  
Author(s):  
Mário R. G. Marques ◽  
Jakob Wolff ◽  
Conrad Steigemann ◽  
Miguel A. L. Marques
Keyword(s):  
Neural Network ◽  
Force Fields ◽  
Practical Procedure ◽  
Melting Temperatures

We present a practical procedure to obtain reliable and unbiased neural network based force fields for solids.

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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