A de novo structure based drug design engine

MERES is short for Modify-Evaluate-Reinforce-Evolve-Sampling. It is our proprietary drug design engine leveraging evolutionary AI, computational biophysics and statistical mechanics.

The most unique advantage of the engine creates compounds towards your desired properties, and only using one molecule as input.

Al guided exploration of chemical space informed by protein structure

Using one hit molecule as input, we will provide you candidates with 100X stronger in binding affinity in 8 weeks.

Paradigm shifting
From random screening to directed exploration of chemical space
Optimize molecules
towards desired properties
Better candidates in shorter time, reduce your trial-and-error costs

Successful Cases

Designed an allosteric kinase inhibitor with new IP value
Optimized a PROTAC hit compound, enhanced degradation efficiency by 10X
Discovered first-in-class alphavirus inhibitors
Complex modeling empowered by
AI-augmented molecular dynamics simulation
Traditional molecular dynamics simulation samples slowly and failed to sample the bioactive conformer
Ternary structure modeling assists rational design of PROTACs and molecular glues