Evidence map›Paper›PMID 41030225›Full record

ArticleJournal of chemical information and modeling2025

MDPath: Unraveling Allosteric Communication Paths of Drug Targets through Molecular Dynamics Simulations.

Niklas Piet Doering, Marvin Taterra, Marcel Bermúdez, Gerhard Wolber

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Article
  2. Deciphering the allosteric landscape of 5-HTPharmacological reports : PR · 2026
    Article
  3. Article
  4. Article
  5. Article
  6. Article
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

4 authors.

Niklas Piet DoeringDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Freie Universität Berlin, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.ORCID 0009-0004-8238-2985
Marvin TaterraInstitute of Pharmaceutical and Medicinal Chemistry, Universität Münster, Corrensstr. 48, 48149 Münster, Germany.ORCID 0009-0006-7988-5068
Marcel BermúdezInstitute of Pharmaceutical and Medicinal Chemistry, Universität Münster, Corrensstr. 48, 48149 Münster, Germany.ORCID 0000-0002-7421-3282
Gerhard WolberDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Freie Universität Berlin, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.ORCID 0000-0002-5344-0048

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding allosteric communication in proteins remains a critical challenge for structure-based, rational drug design. We present

Indexed as

Molecular Dynamics SimulationAllosteric RegulationDrug DesignHumansLigandsReceptor, Adenosine A2AReceptors, Adrenergic, beta-2Receptors, Opioid, muLigandsReceptor, Adenosine A2AReceptors, Adrenergic, beta-2Receptors, Opioid, mu

Identifiers

PMID41030225
PMCPMC12570139

What OpenQuestion holds

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LicenceCC BY
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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 OpenQuestion graph.