A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set
Horta, Bruno A. C, Merz, Pascal T, Fuchs, Patrick F. J, Dolenc, Jozica, Riniker, Sereina, Hünenberger, Philippe H
Published in Journal of chemical theory and computation (09.08.2016)
Published in Journal of chemical theory and computation (09.08.2016)
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Journal Article
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects
Rocklin, Gabriel J, Mobley, David L, Dill, Ken A, Hünenberger, Philippe H
Published in The Journal of chemical physics (14.11.2013)
Published in The Journal of chemical physics (14.11.2013)
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Journal Article
Origin of Asymmetric Solvation Effects for Ions in Water and Organic Solvents Investigated Using Molecular Dynamics Simulations: The Swain Acity–Basity Scale Revisited
Reif, Maria M, Hünenberger, Philippe H
Published in The journal of physical chemistry. B (25.08.2016)
Published in The journal of physical chemistry. B (25.08.2016)
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Journal Article
Revision of the GROMOS 56A6(CARBO) force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains
Plazinski, Wojciech, Lonardi, Alice, Hünenberger, Philippe H
Published in Journal of computational chemistry (30.01.2016)
Published in Journal of computational chemistry (30.01.2016)
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Journal Article
On the structure of parasitic gravity-capillary standing waves in the small surface tension limit
Shelton, Josh, Milewski, Paul, Trinh, Philippe H.
Published in Journal of fluid mechanics (10.10.2023)
Published in Journal of fluid mechanics (10.10.2023)
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Journal Article
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
Hansen, Halvor S, Hünenberger, Philippe H
Published in Journal of computational chemistry (30.04.2011)
Published in Journal of computational chemistry (30.04.2011)
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Journal Article
Rapid energy-efficient manufacturing of polymers and composites via frontal polymerization
Robertson, Ian D., Yourdkhani, Mostafa, Centellas, Polette J., Aw, Jia En, Ivanoff, Douglas G., Goli, Elyas, Lloyd, Evan M., Dean, Leon M., Sottos, Nancy R., Geubelle, Philippe H., Moore, Jeffrey S., White, Scott R.
Published in Nature (London) (01.05.2018)
Published in Nature (London) (01.05.2018)
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