ArticlePhysical chemistry chemical physics : PCCP2024
Chemical accuracy for ligand-receptor binding Gibbs energies through multi-level SQM/QM calculations.
Article in Physical chemistry chemical physics : PCCP, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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
3 citing papers in PubMed.
- Chemical Accuracy in Computational Prediction of PFAS-Cyclodextrin Binding: A Multilevel SQM/QM Study With Experimental Validation.ChemPlusChem · 2026Article
- pH- and microhydration-corrected DFT insights into cucurbit[7]uril host-guest thermodynamics: toward predictive models for drug inclusion.Journal of molecular modeling · 2025Article
- Molecular Recognition and Chiral Discrimination from NMR and Multi-Scale Simulations.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
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
Abstract
Calculating the Gibbs energies of binding of ligand-receptor systems with a thermochemical accuracy of ± 1 kcal mol
Identifiers
What 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.