ArticleThe Journal of chemical physics2011
An improved coarse-grained model of solvation and the hydrophobic effect.
Article in The Journal of chemical physics, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Arginine mutations in antibody complementarity-determining regions display context-dependent affinity/specificity trade-offs.The Journal of biological chemistry · 2017Article
- Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations.The Journal of chemical physics · 2016Article
- Spontaneous recovery of superhydrophobicity on nanotextured surfaces.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- The hydrophobic effect, and fluctuations: The long and the short of it.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Necessity of capillary modes in a minimal model of nanoscale hydrophobic solvation.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Importance of Hydrophilic Hydration and Intramolecular Interactions in the Thermodynamics of Helix-Coil Transition and Helix-Helix Assembly in a Deca-Alanine Peptide.The journal of physical chemistry. B · 2016Article
- Pathways to dewetting in hydrophobic confinement.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Derivation and assessment of phase-shifted, disordered vector field models for frustrated solvent interactions.The Journal of chemical physics · 2013Article
- Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.The Journal of chemical physics · 2013Article
- Universal correlation between solvent polarity, fluorescence lifetime and macroscopic viscosity of alcohol solutions.Journal of fluorescence · 2012Article
- Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function.The journal of physical chemistry. B · 2012Article
- Understanding the role of hydrogen bonds in water dynamics and protein stability.Journal of biological physics · 2012Article
- Molecular explanation for why talc surfaces can be both hydrophilic and hydrophobic.Journal of the American Chemical Society · 2011Article
- Extended surfaces modulate hydrophobic interactions of neighboring solutes.Proceedings of the National Academy of Sciences of the United States of America · 2011Article
- Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling.Journal of statistical physics · 2011Article
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Authors and funding
3 authors.
Funding
Abstract
We present a coarse-grained lattice model of solvation thermodynamics and the hydrophobic effect that implements the ideas of Lum-Chandler-Weeks theory [J. Phys. Chem. B 134, 4570 (1999)] and improves upon previous lattice models based on it. Through comparison with molecular simulation, we show that our model captures the length-scale and curvature dependence of solvation free energies with near-quantitative accuracy and 2-3 orders of magnitude less computational effort, and further, correctly describes the large but rare solvent fluctuations that are involved in dewetting, vapor tube formation, and hydrophobic assembly. Our model is intermediate in detail and complexity between implicit-solvent models and explicit-water simulations.
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