Reparametrisation of united-atom amine solvation in the GROMOS force field

2016 ◽  
Vol 115 (9-12) ◽  
pp. 1144-1154 ◽  
Author(s):  
Maria Pechlaner ◽  
Maria M. Reif ◽  
Chris Oostenbrink
Keyword(s):  
Force Field ◽  
Gromos Force Field

scholarly journals Definition and testing of the GROMOS force-field versions 54A7 and 54B7

2011 ◽  
Vol 40 (7) ◽  
pp. 843-856 ◽  
Author(s):  
Nathan Schmid ◽  
Andreas P. Eichenberger ◽  
Alexandra Choutko ◽  
Sereina Riniker ◽  
Moritz Winger ◽  
...  
Keyword(s):  
Force Field ◽  
Gromos Force Field

New Interaction Parameters for Charged Amino Acid Side Chains in the GROMOS Force Field

2012 ◽  
Vol 8 (10) ◽  
pp. 3705-3723 ◽  
Author(s):  
Maria M. Reif ◽  
Philippe H. Hünenberger ◽  
Chris Oostenbrink
Keyword(s):  
Amino Acid ◽  
Force Field ◽  
Interaction Parameters ◽  
Side Chains ◽  
Amino Acid Side Chains ◽  
Gromos Force Field

Supra-Atomic Coarse-Grained GROMOS Force Field for Aliphatic Hydrocarbons in the Liquid Phase

2015 ◽  
Vol 11 (7) ◽  
pp. 2925-2937 ◽  
Author(s):  
Andreas P. Eichenberger ◽  
Wei Huang ◽  
Sereina Riniker ◽  
Wilfred F. van Gunsteren
Keyword(s):  
Liquid Phase ◽  
Force Field ◽  
Aliphatic Hydrocarbons ◽  
Coarse Grained ◽  
Gromos Force Field

An improved nucleic acid parameter set for the GROMOS force field

2005 ◽  
Vol 26 (7) ◽  
pp. 725-737 ◽  
Author(s):  
Thereza A. Soares ◽  
Philippe H. Hünenberger ◽  
Mika A. Kastenholz ◽  
Vincent Kräutler ◽  
Thomas Lenz ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Force Field ◽  
Gromos Force Field

Parameterization and validation of Gromos force field to use in conformational analysis of epoxidic systems

2006 ◽  
Vol 778 (1-3) ◽  
pp. 21-25 ◽  
Author(s):  
Reynier Suardiaz ◽  
Mitchell Maestre ◽  
Ernesto Suárez ◽  
Carlos Pérez
Keyword(s):  
Conformational Analysis ◽  
Force Field ◽  
Gromos Force Field
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