ArticleJournal of computer-aided molecular design2020
Standard state free energies, not pK
Article in Journal of computer-aided molecular design, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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
13 citing papers in PubMed.
- Kinase inhibitors can change protonation or tautomeric state upon binding.bioRxiv : the preprint server for biology · 2026Article
- Probing Passive Permeation of Tetracycline: Are Simulations Ready for beyond-Rule-of-Five Drug Permeability Calculation?The journal of physical chemistry. B · 2025Article
- Article
- Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host-guest challenge.Physical chemistry chemical physics : PCCP · 2023Article
- Thermodynamically consistent determination of free energies and rates in kinetic cycle models.Biophysical reports · 2023Article
- Thermodynamically consistent determination of free energies and rates in kinetic cycle models.bioRxiv : the preprint server for biology · 2023Article
- COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge.Journal of computer-aided molecular design · 2023Article
- Improving Small Molecule pKFrontiers in chemistry · 2022Article
- Quantifying charge state heterogeneity for proteins with multiple ionizable residues.Biophysical journal · 2021Article
- Stacking Gaussian processes to improveJournal of computer-aided molecular design · 2021Article
- Evaluation of log P, pKJournal of computer-aided molecular design · 2021Article
- Overview of the SAMPL6 pKJournal of computer-aided molecular design · 2021Article
- Protein Motifs for Proton Transfers That Build the Transmembrane Proton Gradient.Frontiers in chemistry · 2021Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
The pK
Indexed as
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.