ArticleFoundations of Molecular Modeling and Simulation : select papers from FOMMS 2015. International Conference on Foundations of Molecular Modeling and Simulation (6th : 2015 : Mount Hood, Or.)2016
Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion.
Article in Foundations of Molecular Modeling and Simulation : select papers from FOMMS 2015. International Conference on Foundations of Molecular Modeling and Simulation (6th : 2015 : Mount Hood, Or.), 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Multiscale simulation of stratum corneum lipid mixtures: effects of ceramide headgroups on structural organization and hydrogen bonding networks.International journal of pharmaceutics · 2026Article
- Universal Interatomic Potentials with DFT for Understanding Orbital Localization in Polydimethylsiloxane-Amorphous Silica Nanocomposites.ACS omega · 2025Article
- New Coarse-Grained Models for Stratum Corneum Ceramides Reveal Headgroup-Dependent Structural Organization.The journal of physical chemistry. B · 2025Article
- Representing Structural Isomer Effects in a Coarse-Grain Model of Poly(Ether Ketone Ketone).Polymers · 2025Article
- The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations.Biophysical journal · 2024Article
- The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study.Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Approaches and Perspective of Coarse-Grained Modeling and Simulation for Polymer-Nanoparticle Hybrid Systems.ACS omega · 2022Review
- Using molecular simulation to understand the skin barrier.Progress in lipid research · 2022Review
- Bottom-up Coarse-Graining: Principles and Perspectives.Journal of chemical theory and computation · 2022Review
- Multiscale Simulation of Ternary Stratum Corneum Lipid Mixtures: Effects of Cholesterol Composition.Langmuir : the ACS journal of surfaces and colloids · 2022Article
- Molecular dynamics simulations of stratum corneum lipid mixtures: A multiscale perspective.Biochemical and biophysical research communications · 2018Article
- A Coarse-Grained Model of Stratum Corneum Lipids: Free Fatty Acids and Ceramide NS.The journal of physical chemistry. B · 2016Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
A coarse-grained water model is developed using multistate iterative Boltzmann inversion. Following previous work, the
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Registered trials
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