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Biorxiv : the Preprint Server for Biology|January 8, 2026
The Influence of Ligands on AlphaFold3 Prediction of Cryptic PocketsMaria Lazou, Felix Tuchscherer, Sandor Vajda, et al.Drug Discovery Today|October 5, 2024
Which cryptic sites are feasible drug targets?Maria Lazou, Dima Kozakov, Diane Joseph-McCarthy, et al.Communications Biology|July 7, 2026
The influence of ligands on AlphaFold3 prediction of cryptic pocketsMaria Lazou, Felix Tuchscherer, Sandor Vajda, et al.Journal of Computer-Aided Molecular Design|January 24, 2024
Identification of a druggable site on GRP78 at the GRP78-SARS-CoV-2 interface and virtual screening of compounds to disrupt that interfaceMaria Lazou, Jonathan R Hutton, Arijit Chakravarty, et al.Viruses|November 27, 2024
Identification and Ranking of Binding Sites from Structural Ensembles: Application to SARS-CoV-2Maria Lazou, Ayse A Bekar-Cesaretli, Sandor Vajda, et al.Proceedings of the National Academy of Sciences of the United States of America|March 4, 2026
Bias in the AlphaFold3 prediction of ligand-induced domain motion in enzymesHao Yu, Ayse A Bekar-Cesaretli, Maria Lazou, et al.Journal of Chemical Information and Modeling|May 11, 2026
Assessment of Alphafold Protein Models for Small-Molecule Ligand Docking versus Co-FoldingHlib Maidanik, Maria Lazou, Rohin Bajaj, et al.Proceedings of the National Academy of Sciences of the United States of America|November 20, 2024
Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too muchMaria Lazou, Omeir Khan, Thu Nguyen, et al.Journal of Chemical Information and Modeling|March 8, 2024
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding SitesOmeir Khan, George Jones, Maria Lazou, et al.Biophysical Journal|February 13, 2026
Towards Understanding the Drivers of Antibody-Antigen BindingOmeir Khan, Marcus Kankkunen, Michel Shaker, et al.Pageof 2