ArticleJournal of molecular modeling2026
Hydrogen-bonded complexes of glycyl-l-glutamate with nucleosides: a dft and qtaim study.
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextThe complex formation between peptides and nucleosides underlies the molecular recognition and regulation processes in biological systems. The present study focuses on the optimized structures of complexes formed between the glycyl-L-glutamate and four nucleosides-adenosine, guanosine, cytidine, and uridine. The most stable structures are found for complexes in which the preferred binding sites and the relative strength of hydrogen bonds are established. The terminal charged NH
methodsThe study combines DFT/B97-D/6-311++G(3d,3p) calculations with topological (QTAIM) and energy decomposition (EDA) analyses to investigate ion-molecular complexes between the tripolar anion of glycyl-glutamic acid and the neutral nucleosides. Solvation effects were taken into account within the PCM (water) model. Several initial structures with different coordination modes were generated according to the molecular electrostatic potential (MEP) distribution. Hydrogen bond parameters were obtained from the properties of bond critical points. The interaction energies and complex formation energies were determined to estimate the stability of the systems. Energy decomposition analysis (EDA) performed using the ORCA software allowed the contributions of electrostatic, polarization, dispersion, and Pauli repulsion components to the total interaction energy to be separated.
Indexed as
Identifiers
41910807What OpenQuestion holds
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.