GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates

2012 ◽  
Vol 8 (11) ◽  
pp. 4681-4690 ◽  
Author(s):  
Laercio Pol-Fachin ◽  
Victor H. Rusu ◽  
Hugo Verli ◽  
Roberto D. Lins
Keyword(s):  
Force Field ◽  
Gromos Force Field

Molecular dynamics of B-DNA including water and counterions: a 140-ps trajectory for d(CGCGAATTCGCG) based on the GROMOS force field

1991 ◽  
Vol 113 (13) ◽  
pp. 5027-5040 ◽  
Author(s):  
S. Swaminathan ◽  
G. Ravishanker ◽  
David L. Beveridge
Keyword(s):  
Molecular Dynamics ◽  
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

Molecular dynamics simulation of the proline conformational equilibrium and dynamics in antamanide using the GROMOS force field

1993 ◽  
Vol 115 (11) ◽  
pp. 4764-4768 ◽  
Author(s):  
R. M. Brunne ◽  
W. F. van Gunsteren ◽  
R. Brueschweiler ◽  
R. R. Ernst
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Force Field ◽  
Conformational Equilibrium ◽  
Dynamics Simulation ◽  
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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