ArticleChemMedChem2025
Proton First: Rationalizing a Proton Transfer in a Protein-Fragment Complex.
Article in ChemMedChem, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
- Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
A combination of experimental and theoretical approaches is used to decipher the molecular recognition event of benzoic acid complexed with protein kinase A. The publicly known crystal structure suggests the protonated form of benzoic acid to be complexed with Protein Kinase A. Such a protonation pattern of is unlikely for benzoic acid in aqueous environment and must be induced by complexation to protein kinase A. Unfortunately, isothermal titration calorimetry does not reveal any binding event, which may be due to low affinity. However, Poisson-Boltzmann calculations and molecular dynamics simulations strengthen the initial hypothesis of a protonated benzoic acid binding to protein kinase A.
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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.