Docking, ADME/Tox filtering, and MD validation in one pipeline.
Ultra large scale virtual screening narrowed by physicochemical and ADME/Tox filters, followed by molecular dynamics binding free energy validation, so the hits that reach your bench have already survived a computational stress test.
What's included
- –Ultra large scale virtual screening across billion-compound libraries
- –Physicochemical and ADME/Tox filtering to cut candidates early
- –Molecular dynamics binding free energy validation on surviving hits
- –Ranked, defensible shortlists ready for bench follow-up
RELATED
Screening pipelines run on the same cloud infrastructure as our other compute heavy workloads.