Colloidal Aggregation Confounds Cell-Based Covid-19 Antiviral Screens.
Glenn, et al, J. Med. Chem. 67, 10263–10274, 2024
Structure-based discovery of CFTR potentiators and inhibitors.
Liu et al,Cell 187, 3712–3725, 2024
AlphaFold2 structures guide prospective ligand discovery.
Lyu, et al., Science 384, 6702, 2024
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK.
Smith, et al., J. Chem. Inf. Model. 64, 425-434, 2024
Preparing for the next pandemic.
Craik & Shoichet, Science 382, 649-650, 2024
Large library docking for novel SARS‐CoV‐2 main protease non‐covalent and covalent inhibitors.
Fink, et al, Protein Science 32, e4712, 2024
Docking for EP4R antagonists active against inflammatory pain.
Gahbauer et al, Nature Communication 14, 8067, 2023
Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor.
Fink, et al., Science, 2022
Elissa's speech at paper lunch on 11/02/2022
Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.
TA Tummino, et al., Science, 2021
Structures of the σ2 receptor enable docking for bioactive ligand discovery
A Alon, JK Lyu, et al., Nature, 2021
The genesis of computational chemistry & biology at UCSF