High-Throughput Landscape Screening
We screen compounds against energy landscapes rather than against a single static structure. This allows candidate molecules to be evaluated across selected states, cavities, and regions of the target, giving a richer view of possible binding modes and a stronger basis for prioritisation.
Screening can use DOHD ROTU chemical spaces optimised for energy-landscape work, or begin from customer-supplied compounds. Where useful, starting compounds can be analysed, expanded, or enriched before screening, so the campaign can combine known chemical matter with broader exploration of nearby or complementary chemical space.
Docking outputs can be delivered as raw LN Harbour datasets or ranked according to agreed cost functions. Ranking can incorporate docking scores, landscape state information, cavity context, chemical-space provenance, in-house ADMET models, customer-supplied scoring functions, and other project-specific constraints.
For larger programmes, we can package landscape, cavity, and docking-derived data into reusable representations that support efficient follow-on analysis and compound design.