Maria Lazou

Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much

Maria Lazou, Omeir Khan, Thu Nguyen et al. · Proceedings of the National Academy of Sciences · 2024 · 33 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +11

Modeling Protein–Protein and Protein–Ligand Interactions by the <scp>ClusPro</scp> Team in <scp>CASP16</scp>

Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan et al. · Proteins Structure Function and Bioinformatics · 2025 · 15 citations · Full text

Life Sciences, Bioinformatics, Computational Chemistry +16

Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites

Omeir Khan, George Jones, Maria Lazou et al. · Journal of Chemical Information and Modeling · 2024 · 14 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17