Search results for "GROMOS"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
69	James A. Lupo	Benchmarking UHGROMOS.	HICSS (5)	1995	DBLP DOI BibTeX RDF	GROMOS, parallel Fortran preprocessor, Pfortran, Intel Corporation, IBM Corporation, massively parallel processor machines, Intel iPSC/860, Caltech Intel DELTA, IBM SP1, UHGROMOS molecular dynamics program, test application, parallel performance analysis, parallel programming, benchmarking, FORTRAN, parallel machines, parallel machines, software performance evaluation, physics, parallel languages, software portability, physics computing, porting, Intel Paragon, program processors, molecular dynamics method
30	Matthias Diem, Chris Oostenbrink	Hamiltonian Reweighing To Refine Protein Backbone Dihedral Angle Parameters in the GROMOS Force Field.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
30	Mayk C. Ramos, Vitor A. C. Horta, Bruno A. C. Horta	Molecular Dynamics Simulations of PAMAM and PPI Dendrimers Using the GROMOS-Compatible 2016H66 Force Field.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
30	Christian Margreitter, Maria M. Reif, Chris Oostenbrink	Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field.	J. Comput. Chem.	2017	DBLP DOI BibTeX RDF
30	Wojciech Plazinski, Alice Lonardi, Philippe H. Hünenberger	Revision of the GROMOS 56A6CARBO force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains.	J. Comput. Chem.	2016	DBLP DOI BibTeX RDF
30	Micholas Dean Smith, J. Srinivasa Rao, Elizabeth Segelken, Luis Cruz 0003	Force-Field Induced Bias in the Structure of Aβ21-30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields.	J. Chem. Inf. Model.	2015	DBLP DOI BibTeX RDF
30	Laercio Pol-Fachin, Hugo Verli, Roberto D. Lins	Extension and validation of the GROMOS 53A6glyc parameter set for glycoproteins.	J. Comput. Chem.	2014	DBLP DOI BibTeX RDF
30	Zhixiong Lin, Wilfred F. van Gunsteren	Refinement of the application of the GROMOS 54A7 force field to β-peptides.	J. Comput. Chem.	2013	DBLP DOI BibTeX RDF
30	Nathan Schmid, Clara D. Christ, Markus Christen, Andreas P. Eichenberger, Wilfred F. van Gunsteren	Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation.	Comput. Phys. Commun.	2012	DBLP DOI BibTeX RDF
30	Katharina Meier, Nathan Schmid, Wilfred F. van Gunsteren	Interfacing the GROMOS (bio)molecular simulation software to quantum-chemical program packages.	J. Comput. Chem.	2012	DBLP DOI BibTeX RDF
30	Anna-Pitschna E. Kunz, Jane R. Allison, Daan P. Geerke, Bruno A. C. Horta, Philippe H. Hünenberger, Sereina Riniker, Nathan Schmid, Wilfred F. van Gunsteren	New functionalities in the GROMOS biomolecular simulation software.	J. Comput. Chem.	2012	DBLP DOI BibTeX RDF
30	Bruno A. C. Horta, Zhixiong Lin, Wei Huang, Sereina Riniker, Wilfred F. van Gunsteren, Philippe H. Hünenberger	Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol.	J. Comput. Chem.	2012	DBLP DOI BibTeX RDF
30	Zhixiong Lin, Wilfred F. van Gunsteren, Haiyan Liu	Conformational state-specific free energy differences by one-step perturbation: Protein secondary structure preferences of the GROMOS 43A1 and 53A6 force fields.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
30	Halvor S. Hansen, Philippe H. Hünenberger	A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
30	Nathan Schmid, Mathias Bötschi, Wilfred F. van Gunsteren	A GPU solvent-solvent interaction calculation accelerator for biomolecular simulations using the GROMOS software.	J. Comput. Chem.	2010	DBLP DOI BibTeX RDF
30	Justin A. Lemkul, William J. Allen, David R. Bevan	Practical Considerations for Building GROMOS-Compatible Small-Molecule Topologies.	J. Chem. Inf. Model.	2010	DBLP DOI BibTeX RDF
30	Zanxia Cao, Zhixiong Lin, Jun Wang 0030, Haiyan Liu	Refining the description of peptide backbone conformations improves protein simulations using the GROMOS 53A6 force field.	J. Comput. Chem.	2009	DBLP DOI BibTeX RDF
30	Roberto D. Lins, Philippe H. Hünenberger	A new GROMOS force field for hexopyranose-based carbohydrates.	J. Comput. Chem.	2005	DBLP DOI BibTeX RDF
30	Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P. Geerke, Tim N. Heinz, Mika A. Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F. van Gunsteren	The GROMOS software for biomolecular simulation: GROMOS05.	J. Comput. Chem.	2005	DBLP DOI BibTeX RDF
30	Thereza A. Soares, Philippe H. Hünenberger, Mika A. Kastenholz, Vincent Kräutler, Thomas Lenz, Roberto D. Lins, Chris Oostenbrink, Wilfred F. van Gunsteren	An improved nucleic acid parameter set for the GROMOS force field.	J. Comput. Chem.	2005	DBLP DOI BibTeX RDF
30	Chris Oostenbrink, Alessandra Villa, Alan E. Mark, Wilfred F. van Gunsteren	A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.	J. Comput. Chem.	2004	DBLP DOI BibTeX RDF
30	Karl-Heinz Ott, Bernd Meyer 0006	Parametrization of GROMOS force field for oligosaccharides and assessment of efficiency of molecular dynamics simulations.	J. Comput. Chem.	1996	DBLP DOI BibTeX RDF