Evidence map›Paper›PMID 39933881›Full record

ArticleJournal of chemical information and modeling2025

Valerij Talagayev, Yu Chen, Niklas Piet Doering, Leon Obendorf, Katrin Denzinger, Kristina Puls, Kevin Lam, Sijie Liu, Clemens Alexander Wolf, Theresa Noonan and 3 more

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 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. AI-Guided Binding Mechanisms and Molecular Dynamics for MERS-CoV.International journal of molecular sciences · 2026
    Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Pro-Apoptotic Activity of 1-(4,5,6,7-Tetrabromo-1International journal of molecular sciences · 2025
    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

13 authors.

Valerij TalagayevDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Yu ChenDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Niklas Piet DoeringDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Leon ObendorfDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Katrin DenzingerDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Kristina PulsDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Kevin LamDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Sijie LiuDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.ORCID 0000-0001-8834-3881
Clemens Alexander WolfDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.ORCID 0000-0002-5682-1815
Theresa NoonanDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Marko BreznikDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, Königin-Luisestr. 2 + 4, 14195 Berlin, Germany.
Petra KnausDepartment of Biology, Chemistry and Pharmacy, Institute of Biochemistry, Signal Transduction Group, Thielallee 64, 14195 Berlin, Germany.
Gerhard WolberDepartment of Biology, Chemistry and Pharmacy, Institute of Pharmacy, Molecular Design Group, 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

Molecular dynamics (MD) simulations have become an essential tool for studying the dynamics of biological systems and exploring protein-ligand interactions.

Indexed as

Molecular Dynamics SimulationProteinsSoftwareLigandsProtein BindingLigandsProteins

Identifiers

PMID39933881
PMCPMC11863370

What OpenQuestion 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 OpenQuestion graph.