Novo Nordisk
Computational method for systematically scanning chemical modification sites on peptides. Benchmark study on GLP-1 analogs for anti-obesity therapeutics.
Sali lab, UCSF
Docking score for nanobody–SARS-CoV-2 Spike interactions using chemical crosslinkS and escape mutation data. Discovered vulnerable and resilient epitopes across variants of concern.
Sali lab, UCSF
First coarse-grained structure of the full length SMC-5/6 -- NSE-2,5,6 complex from crosslink and cryo-EM data.
Sali lab, UCSF
Bayesian networks combining continuum, particle, and network-scale models of the pancreatic beta-cell. Software lead for the Pancreatic Beta-Cell Consortium (UCSF/USC).
Shell lab, UCSB
Protein backbone models for template-free folding of 200+ residue CG protein domains and self-assembly in amyloidogenic peptides using variational inference techniques.
Shell lab, UCSB
Introduced the local density potential for structurally and thermodynamically accurate coarse-grained MD simulations of liquid-liquid phase separation.