Evidence map›Paper›PMID 42737601›Full record

ArticleInternational journal of molecular sciences2026

Molecular Insights into Caffeine Stacking, Partitioning, and Organization in DPPC Lipid Bilayers from Microseconds-Long Molecular Dynamics Simulations.

Subhalaxmi Das, Nikos Ch Karayiannis, Supriya Roy

Abstract read
In one paragraph

Article in International journal of molecular sciences, 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.

Subhalaxmi DasSchool of Applied Sciences, KIIT Deemed to be University, Bhubaneswar, Khurda 751024, Odisha, India.ORCID 0000-0002-8239-0254
Nikos Ch KarayiannisInstitute for Optoelectronic Systems and Microtechnology (ISOM) and Escuela Técnica Superior de Ingenieros Industriales (ETSII), Universidad Politécnica de Madrid (UPM), José Gutiérrez Abascal 2, E-28006 Madrid, Spain.ORCID 0000-0003-2762-270X
Supriya RoySchool of Applied Sciences, KIIT Deemed to be University, Bhubaneswar, Khurda 751024, Odisha, India.ORCID 0000-0001-7894-1968

Funding

MICINN/FEDER (Minis-terio de Ciencia e Innovación, Fondo Europeo de Desarrollo Regional) PID2021-127533NB-I00Polytechnic University of Madrid D05DMF26Polytechnic University of Madrid Seeds Project-VRISEM25NKPolytechnic University of Madrid Seeds Project-VRISEM26NK
6 · The paper itself

Abstract

Caffeine (1,3,7-trimethylxanthine) is a widely consumed psychoactive drug and neurostimulant, yet its molecular organization and permeation behavior in lipid membranes are not fully understood. We employ microseconds-long, united-atom molecular dynamics simulations to investigate caffeine interactions with a solvated DPPC (1,2-dipalmitoyl-

Indexed as

1,2-DipalmitoylphosphatidylcholineCaffeineLipid BilayersMolecular Dynamics SimulationHydrophobic and Hydrophilic InteractionsThermodynamics1,2-DipalmitoylphosphatidylcholineCaffeineLipid Bilayersatomistic simulationbilayercaffeineDPPCdrug–membrane interactionsfree energy calculationlipid membranemolecular dynamicsmolecular modellingpermeationpotential of mean force

Identifiers

PMID42737601
PMCPMC13565828

What OpenQuestion holds

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Registered trials

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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.