Lawrence Livermore National Laboratory Covid-19 Therapeutic Design
Therapeutic leads for SARS-CoV-2: in silico predictions and selected experimental validation for public small molecule libraries and designed synthetic antibodies.
Query small molecule drug design results against four SARS-CoV-2 targets
Current compound set: 76258955.
Models/methods: Molecular docking | Single-point GBSA | “Fusion” machine learning model | MD-trajectory-average GBSA | Safety and pharmacokinetic property predictions
What are you looking for?
Input a compound name, protein name, or UniProt ID. Separate queries
of the same type using commas. Narrow your search using the keywords "protein:exampleprotein",
or "compound:examplecompound".