High-Dimensional Parameter Search Method to Determine Force Field Mixing Terms in Molecular Simulations
Molecular dynamics (MD) force fields for lipids and ions are typically developed independently of one another. In simulations consisting of both lipids and ions, lipid-ion interaction energies are estimated using a predefined set of mixing rules for Lennard-Jones (LJ) interactions. This, however, do...
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Détails bibliographiques
| Publié dans: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 38(2022), 9 vom: 08. März, Seite 2840-2851
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| Auteur principal: |
Saunders, Matthew
(Auteur) |
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| Autres auteurs: |
Wineman-Fisher, Vered,
Jakobsson, Eric,
Varma, Sameer,
Pandit, Sagar A |
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| Format: | Article en ligne
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| Langue: | English |
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| Publié: |
2022
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| Accès à la collection: | Langmuir : the ACS journal of surfaces and colloids
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| Sujets: | Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Ions
Lipid Bilayers |
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