Evidence map›Paper›PMID 41075093›Full record

ArticleMethods in molecular biology (Clifton, N.J.)2026

AlphaFold for Docking Screens.

Amauri Duarte da Silva, Walter Filgueira de Azevedo

Abstract read
PubMed Publisher
In one paragraph

Article in Methods in molecular biology (Clifton, N.J.), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

2 authors.

Amauri Duarte da SilvaGraduate Program in Information Technologies and Health Management, Federal University of Health Sciences of Porto Alegre, Porto Alegre, RS, Brazil.
Walter Filgueira de AzevedoDepartment of Physics, Institute of Exact Sciences, Federal University of Alfenas, Alfenas, MG, Brazil.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

AlphaFold is an AI system developed by Google DeepMind to generate three-dimensional structures of proteins without experimental data. The models created with AlphaFold are available on the AlphaFold Protein Structure Database (AlphaFoldDB) ( https://alphafold.ebi.ac.uk/ ). The AlphaFold database is searchable by sequence and protein identification. This chapter focuses on an AlphaFold model and its use for docking screens using Molegro Virtual Docker. We rely on Jupyter Notebooks to integrate docking simulations and build regression models based on the atomic coordinates of protein-pose complexes. Our study focuses on constructing a neural network regression model to predict the inhibition of cyclin-dependent kinase 19 (CDK19). This enzyme is a target for anticancer drugs and does not have experimental data for its atomic coordinates. We utilize the Molegro Data Modeller to construct a regression model based on docking results of inhibitors for which binding affinity data is available. All CDK19 datasets and Jupyter Notebooks discussed in this work are available at GitHub: https://github.com/azevedolab/docking#readme .

Indexed as

Computational BiologyCyclin-Dependent KinasesMolecular Docking SimulationProteinsSoftwareDatabases, ProteinHumansNeural Networks, ComputerProtein BindingProtein ConformationProtein Kinase InhibitorsCyclin-Dependent KinasesProtein Kinase InhibitorsProteinsAlphaFoldArtificial intelligenceCyclin-dependent kinase 19Docking screenMolegro data modellerScoring function space

Identifiers

PMID41075093

What OpenQuestion holds

Textmetadata
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.