
Lead Ligand Pose Prediction Specialist
1 week ago
This is a strategic role that requires bridge AI outputs with biological and chemical insight, ensuring the most promising designs move forward.
The ideal candidate will have expertise in medicinal chemistry and structure-based design to lead ligand pose prediction workflows using state-of-the-art AI and computational docking tools. They will evaluate protein–ligand binding interactions for fit, contact quality, and structural plausibility, and collaborate with AI/deep learning engineers to refine de novo molecular generation strategies.
Responsibilities include applying drug-likeness, ADMET, novelty, and selectivity criteria to prioritize compound candidates, integrating binding mode insights with biological context from Pattern's Agentix Knowledge Graph, and generating clear, actionable compound selection lists for partner synthesis and in-vitro testing.
Key Qualifications:
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