AIDD has extensive experience in computational modelling, informatics and data-driven solutions in the field of drug discovery & development. Experienced CADD team members at AIDD work hand-in-glove with the medicinal chemists towards generation of new ideas for design of novel compounds. These ideas are aimed at improving the physicochemical properties within the series during lead identification & optimization leading to preclinical candidates. The technologies span across the spectrum of computational techniques such as homology modelling, protein structural analysis including identification of cryptic pockets of ligand binding including the basis and design of ligand selectivity. The state-of-the-art facility at Aragen with its advanced computing software enables the team to carry out long and complex molecular dynamic simulations to understand the affinity & stability of protein-ligand complexes. The team has successfully delivered legitimate hits & leads heading to preclinical candidates in various programs comprising of both small molecules and Targeted Protein Degradation (TPD).
