Antibody Drug Optimization – Ab/Ag-Interactivate Prediction

End2End predicton of structure and affinity

Ab/Ag-Interactivate Prediction

Monoclonal antibody (mAb) drugs have more specificity and lower side effect than small molecular drugs.

In the past, it took a long ime to prove the efficacy, safety and specificity of monoclonal antibody selection and production from druggable target.

Atom provides an end-to-end way to simulate and determine the efficiency of therapeutic antibody candidates. After finding a druggable target, we simulate mAb with target docking and predict co-structure from our Co-Structure simulation module. Therefore, Atom determines the Ka affinity from CDR/FR structure and their protein-protein interface atom pair in different environment conditions. To ensure mAb are on target, we select mAb from antibody profile prediction index such as PSH, PPC, and etc. Atom then uses a co-structure module to verify the mAb with PDB database. With such a well-designed system, our Antibody Drug Designer can find the best efficacy of mAb.


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