Improving the Estimation of p

Nuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro

Abstract read

In one paragraph

Article in The journal of physical chemistry. B, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Nuno F B OliveiraBioISI─Instituto de Biossistemas e Ciências Integrativas, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.

Pedro B P S ReisMachine Learning Research, Bayer AG, Müllerstraße 178, 13353 Berlin, Germany.ORCID 0000-0003-3563-6239

Miguel MachuqueiroBioISI─Instituto de Biossistemas e Ciências Integrativas, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.ORCID 0000-0001-6923-8744

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding how pH-sensitive molecules behave when incorporated into lipid bilayers is a challenging problem that requires specialized methods and robust sampling. Techniques based on constant-pH molecular dynamics (CpHMD) can be employed to investigate the effects of pH on molecules at the water-membrane interface. Here, we compare the performance of enhanced sampling protocols coupled with CpHMD in describing protonation and p

Indexed as

Amino AcidsLipid BilayersWaterDimyristoylphosphatidylcholineHydrogen-Ion ConcentrationMolecular Dynamics SimulationAmino AcidsDimyristoylphosphatidylcholineLipid BilayersWater

Identifiers

PMID41968484

DOI10.1021/acs.jpcb.5c07807

PMCPMC13112345

What Socratic holds

Textmetadata

LicenceCC BY

Read underepoch 390

Registered trials

None linked

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 Socratic graph.