Evidence map›Paper›PMID 38783339›Full record

ArticleNucleic acids research2024

MolModa: accessible and secure molecular docking in a web browser.

Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, Jacob D Durrant

Abstract read
In one paragraph

Article in Nucleic acids research, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

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  13. Qsarna: An Online Tool for Smart Chemical Space Navigation in Drug Design.Journal of chemical information and modeling · 2025
    Article
  14. Review
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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.

Yuri KochnevDepartment of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.
Mayar AhmedDepartment of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.ORCID 0009-0005-1998-1683
Alex M MaldonadoDepartment of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.ORCID 0000-0003-3280-062X
Jacob D DurrantDepartment of Biological Sciences, University of Pittsburgh, Pittsburgh, PA, USA.ORCID 0000-0002-5808-4097

Funding

Advancing drug-lead and chemical-probe discovery using weighted-ensemble simulations and biophysical validationR01GM132353 · NIGMS · UNIVERSITY OF PITTSBURGH AT PITTSBURGH · PI DURRANT, JACOB D · 2019 to 2023
$1.7M
NIGMS NIH HHS R01 GM132353NIH HHS R01GM132353
6 · The paper itself

Abstract

Molecular docking advances early-stage drug discovery by predicting the geometries and affinities of small-molecule compounds bound to drug-target receptors, predictions that researchers can leverage in prioritizing drug candidates for experimental testing. Unfortunately, existing docking tools often suffer from poor usability, data security, and maintainability, limiting broader adoption. Additionally, the complexity of the docking process, which requires users to execute a series of specialized steps, often poses a substantial barrier for non-expert users. Here, we introduce MolModa, a secure, accessible environment where users can perform molecular docking entirely in their web browsers. We provide two case studies that illustrate how MolModa provides valuable biological insights. We further compare MolModa to other docking tools to highlight its strengths and limitations. MolModa is available free of charge for academic and commercial use, without login or registration, at https://durrantlab.com/molmoda.

Indexed as

Molecular Docking SimulationDrug DiscoveryHumansInternetSoftwareWeb Browser

Identifiers

PMID38783339
PMCPMC11223821

What OpenQuestion holds

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LicenceCC BY
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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.