<i>De novo</i> protein–ligand design including protein flexibility and conformational adaptation

Datasets, examples, and source code are available on our public GitHub repository https://github.com/JakobAgamia/AI-MCLig and on Zenodo at https://doi.org/10.5281/zenodo.17800140.

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Publication Details

Journal
Bioinformatics
Published
2026-01-20
DOI
https://doi.org/10.1093/bioinformatics/btag027
Primary Topic
Protein Structure and Dynamics
Type
article
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article

De novo protein–ligand design including protein flexibility and conformational adaptation

Jakob Agamia, Martin Zacharias
Bioinformatics
Protein Structure and Dynamics
article

De novo protein–ligand design including protein flexibility and conformational adaptation

Jakob Agamia, Martin Zacharias
article en

Abstract

Datasets, examples, and source code are available on our public GitHub repository https://github.com/JakobAgamia/AI-MCLig and on Zenodo at https://doi.org/10.5281/zenodo.17800140.

BioinformaticsVol. 42(2)
Technical University of Munich (DE)
Zero hunger
Openalex Percentile: Top 80%
Protein Structure and Dynamics
DOIOpen Access PDFOpenAlex
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<i>De novo</i> protein–ligand design including protein flexibility and conformational adaptation — Jakob Agamia, Martin Zacharias · Bioinformatics (2026) | TGRS Research Map | TGRS