Kunyang Sun

LIMO: Latent Inceptionism for Targeted Molecule Generation

M. Gilson, Rose Yu, P. Eckmann, 2022, ICML.

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Christine M. Aceves, Emily C. Gentry, Allegra T. Aron, 2019, Nature Protocols.

Non-invasive skin sampling detects systemically administered drugs in humans

Emily C. Gentry, P. Dorrestein, A. Jarmusch, 2021, bioRxiv.

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Justin J. J. van der Hooft, Nuno Bandeira, Nicole Sikora, 2020, Nature Protocols.

Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction

Yingze Wang, Jie Li, Oufan Zhang, 2023, ArXiv.

Multifactor Quality and Safety Analysis of Antimicrobial Drugs Sold by Online Pharmacies That Do Not Require a Prescription: Multiphase Observational, Content Analysis, and Product Evaluation Study

P. Dorrestein, A. Jarmusch, T. Mackey, 2022, JMIR public health and surveillance.

Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design.

Rommie E. Amaro, Mojtaba Haghighatlari, Conor Parks, 2024, Journal of Chemical Information and Modeling.