1:45 Mind The Gap: Exploiting Deep Learning To Drive Structure-Based PIC Design
Time: 9:30 am
day: Day Two Track A PM
Details:
- At CelerisTx artificial intelligence meets computer-aided drug design to develop Proximity-Inducing Compounds (PICs) more rapidly, at lower cost, and with a higher probability of success.
- Our AI-driven in silico pipeline is used to predict PIC-mediated ternary complex structures by combining molecular docking, protein-protein interactions, Bayesian optimization, and free energy calculations.
- Following a holistic approach we leverage computer-basedpredictions to automate subsequent chemical and biological tasks before proceeding through multiple design-make-test iterations to develop novel PICs for currently incurable diseases
