Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Singh, et al., Cell, 2023
Modeling the expansion of virtual screening libraries.
Lyu, et al., Nature, 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
Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity.
Kaplan, et al., Nature, 2022
Structure-Based Design of a Chemical Probe Set for the 5-HT5A Serotonin Receptor.
Kaplan, et al., J Med Chem, 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
Structure, function and pharmacology of human itch GPCRs.
C Cao, et al., Nature, 2021
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
M Schuller, et al., Science Advances, 2021
The genesis of computational chemistry & biology at UCSF