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This document presents a reproducible molecular dynamics (MD) workflow for pre-HDX epitope triage in antibody-drug conjugate programs targeting EGFR and HER2. The workflow evaluates matched apo and holo simulations to generate ranked peptide windows, using a conservative protection proxy to guide first-pass HDX-MS peptide panel design. The approach aims to prioritize candidate regions for testing rather than predict absolute uptake kinetics or clinical efficacy, providing a standardized framework for epitop
- Author
- shakeel hoosdally
- Language
- EN