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Drug Discovery Today|October 5, 2024
Which cryptic sites are feasible drug targets?Maria Lazou, Dima Kozakov, Diane Joseph-McCarthy, 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|March 8, 2024
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding SitesOmeir Khan, George Jones, Maria Lazou, 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.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.Communications Biology|July 7, 2026
The influence of ligands on AlphaFold3 prediction of cryptic pocketsMaria Lazou, Felix Tuchscherer, Sandor Vajda, et al.Journal of Molecular Biology|March 26, 2025
E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment ExpansionOmeir Khan, George Jones, Dima Kozakov, 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.Current Opinion in Structural Biology|March 31, 2009
Convergence and combination of methods in protein-protein dockingSandor Vajda, Dima KozakovJournal of Chemical Information and Modeling|August 22, 2025
Impact of Protein Conformational Diversity on Structure-Based Prediction of DruggabilityAyse A Bekar-Cesaretli, Shray Vats, Adrian Whitty, et al.Pageof 24