Senior / Principal Scientist, Molecular Simulations

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Cambridge, MA USA Posted 2w ago

Responsibilities: * Binder Characterization: Run and interpret structural and dynamic analysis of ligand–target complexes peptides, macrocycles, nanobodies/VHHs, antibody CDRs. * Pocket & Target Assessment: Characterize binding sites, including cryptic and induced-fit pockets, across the target portfolio using MD, enhanced sampling, and pocket detection methods. * Design Validation: Triage generated molecules before synthesis through a combination of pose prediction and refinement, docking rescoring, binding-mode stability under MD, ligand strain and conformational ensemble analysis,…

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