ArticleJournal of computational chemistry2025
Analyzing Many-Body Charge Transfer Effects With the Fragment Molecular Orbital Method.
Article in Journal of computational chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
2 citing papers in PubMed.
- Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors.Journal of chemical information and modeling · 2026Article
- Visualization of Properties in the Fragment Molecular Orbital Method Using Facio.Methods in molecular biology (Clifton, N.J.) · 2026Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A many-body expansion of charge transfer (CT) energies is developed for the fragment molecular orbital method. It is applied to decouple CT and mix terms in interaction energy decomposition analyses. Many-body charge transfer is graphically illustrated in the form of frontier orbital diagrams. The contribution of CT to molecular interactions is elucidated in the application of the method to water clusters, solvated ions, and polypeptide motifs.
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Registered trials
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