Thu Nguyen

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

Best practices for high data-rate macromolecular crystallography (HDRMX)

H. J. Bernstein, Lawrence C. Andrews, Jorge A. Diaz et al. · Structural Dynamics · 2020 · 16 citations · Full text

Natural Sciences, High-performance Computing, Crystal Structure +16

C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major <i>Acinetobacter baumannii</i> Carbapenemase OXA-23 by Impeding Deacylation

Nichole K. Stewart, Márta Tóth, Maha A. Alqurafi et al. · mBio · 2022 · 16 citations · Full text

Life Sciences, Microbiology, Pharmacology +17

MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex prediction

Ernest Glukhov, Dmytro Kalitin, Darya Stepanenko et al. · Biophysical Journal · 2024 · 14 citations · Full text

Life Sciences, Immunology, Molecular Biology +14

Assessing the binding properties of <scp>CASP14</scp> targets and models

Megan Egbert, Usman Ghani, Ryota Ashizawa et al. · Proteins Structure Function and Bioinformatics · 2021 · 11 citations · Full text

Life Sciences, Biophysics, Medicinal Chemistry +17