ArticleJournal of biological physics2012
Lewis-inspired representation of dissociable water in clusters and Grotthuss chains.
Article in Journal of biological physics, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
9 citing papers in PubMed, 40 citations in OpenAlex.
- Surveying Enzyme Crystal Structures Reveals the Commonality of Active-Site Solvent Accessibility and Enzymatic Water Networks.ACS omega · 2025Article
- Morphological effect of side chain on HScientific reports · 2020Article
- Chemistry with semi-classical electrons: reaction trajectories auto-generated by sub-atomistic force fields.Chemical science · 2017Article
- Surface Propensities of the Self-Ions of Water.ACS central science · 2016Article
- Transferable pseudoclassical electrons for aufbau of atomic ions.Journal of computational chemistry · 2014Article
- Proton defect solvation and dynamics in aqueous acid and base.Angewandte Chemie (International ed. in English) · 2012Article
- Natural polarizability and flexibility via explicit valency: the case of water.The Journal of chemical physics · 2012Article
- A dynamic role for water in biological systems.Journal of biological physics · 2012Article
- Pairwise long-range compensation for strongly ionic systems.Journal of chemical theory and computation · 2011Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Proton transfer to and from water is critical to the function of water in many settings. However, it has been challenging to model. Here, we present proof-of-principle for an efficient yet robust model based on Lewis-inspired submolecular particles with interactions that deviate from Coulombic at short distances to take quantum effects into account. This "LEWIS" model provides excellent correspondence with experimental structures for water molecules and water clusters in their neutral, protonated and deprotonated forms; reasonable values for the proton affinities of water and hydroxide; a good value for the strength of the hydrogen bond in the water dimer; the correct order of magnitude for the stretch and bend force constants of water; and the expected time course for Grotthuss transport in water chains.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.