LinkedIn·Wednesday, 12 August 2026·14d ago

Molecular Dymanics must be the last filter in your pipeline (🎥 Designing nanobody Ep9 ) Out of our 123 candidates, for this example, we…

Philippe Herman

EVOBodies® for your AI generated and wet-lab validated VHHs in 12 weeks | Minibinders | AMR | CEO IMMUNOCHEM

Molecular Dymanics must be the last filter in your pipeline (🎥 Designing nanobody Ep9 ) Out of our 123 candidates, for this example, we selected just 3, the top of our funnel, for this final Molecular Dynamics (MD) validation step 💪 Every step so far has been AI: diffusion, inverse folding, ESM2Fold, Boltz2X. MD is not, it's grounded in the physical world, meaning that it simulates physics. ✅ MD is a toolbox that resolves Newtonian equations. ✅ There's no model guessing here We run each of the 3 designs for 100 nanoseconds of molecular dynamics, with several replicates each. In the simulation, the V5 peptide is colored by RMSF : red means high fluctuation (mobility) in the atom's position, blue means uncertainty. ▶️ Watching it over time tells you something a static structure never can: whether the interaction actually holds up, or slowly falls apart. ▶️ What we see across all three designs is a truly deep, sustained contact between the epitope and the nanobody, holding through the full simulation. It’s not a snapshot that looks good once, it’s a structure that stays locked in. And it is what you want to see! 😊 ➡️Next and final post in this series soon : how these candidates actually stack up against nbV5, our real, lab-validated benchmark. Phil. PS: I've launched EVOBody™, a unique platform allowing biotech leaders to develop antibody projects from concept to generation with minimal risk in only 12 weeks, for maximum impact. Apply for access to our program by clicking on 'Schedule a Meeting' under my profile.