Faculty Opinions recommendation of Significantly Improved Protein Folding Thermodynamics Using a Dispersion-Corrected Water Model and a New Residue-Specific Force Field.

2017 ◽  
Author(s):  
Athi N Naganathan
Keyword(s):  
Protein Folding ◽  
Force Field ◽  
Water Model ◽  
Specific Force ◽  
Folding Thermodynamics

Specific force field parameters determination for the hybridab initioQM/MM LSCF method

2002 ◽  
Vol 23 (6) ◽  
pp. 610-624 ◽  
Author(s):  
Nicolas Ferré ◽  
Xavier Assfeld ◽  
Jean-Louis Rivail
Keyword(s):  
Force Field ◽  
Specific Force ◽  
Force Field Parameters

scholarly journals Evaluation and Improvement of the Amber ff99SB Force Field with an Advanced Water Model

2011 ◽  
Vol 100 (3) ◽  
pp. 311a
Author(s):  
Paul S. Nerenberg ◽  
Clare So ◽  
Ajay Tripathy ◽  
Teresa Head-Gordon
Keyword(s):  
Force Field ◽  
Water Model

Contribution of Hydration to Protein Folding Thermodynamics

1993 ◽  
Vol 232 (2) ◽  
pp. 660-679 ◽  
Author(s):  
Peter L. Privalov ◽  
George I. Makhatadze
Keyword(s):  
Protein Folding ◽  
Folding Thermodynamics

scholarly journals How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

2011 ◽  
Vol 100 (9) ◽  
pp. L47-L49 ◽  
Author(s):  
Stefano Piana ◽  
Kresten Lindorff-Larsen ◽  
David E. Shaw
Keyword(s):  
Protein Folding ◽  
Force Field ◽  
Force Field Parameterization ◽  
Folding Simulations

A refined polarizable water model for the coarse-grained MARTINI force field with long-range electrostatic interactions

2017 ◽  
Vol 146 (5) ◽  
pp. 054501 ◽  
Author(s):  
Julian Michalowsky ◽  
Lars V. Schäfer ◽  
Christian Holm ◽  
Jens Smiatek
Keyword(s):  
Force Field ◽  
Long Range ◽  
Electrostatic Interactions ◽  
Coarse Grained ◽  
Water Model ◽  
Martini Force Field

Environment-Specific Force Field for Intrinsically Disordered and Ordered Proteins

2020 ◽  
Vol 60 (4) ◽  
pp. 2257-2267 ◽  
Author(s):  
Dong Song ◽  
Hao Liu ◽  
Ray Luo ◽  
Hai-Feng Chen
Keyword(s):  
Force Field ◽  
Specific Force ◽  
Intrinsically Disordered
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