
Advanced Molecular Designer
2 days ago
About this role
We are developing a cutting-edge AI-driven drug discovery platform that integrates state-of-the-art structural modeling, generative design, and reinforcement learning agents to explore the vast chemical space for novel small-molecule therapeutics.
As a key member of our team, you will lead ligand pose prediction workflows using advanced AI and computational docking tools, evaluate protein-ligand binding interactions, and collaborate with AI/deep learning engineers to refine de novo molecular generation strategies.
Key Responsibilities:
- Leverage expertise in medicinal chemistry and structure-based design to bridge AI outputs with biological and chemical insight.
- Evaluate protein-ligand binding interactions for fit, contact quality, and structural plausibility.
- Collaborate with cross-functional teams to integrate binding mode insights with biological context.
- Present clear, actionable compound selection lists for partner synthesis and in-vitro testing.
Qualifications Required:
- PhD or Masters in Medicinal Chemistry, Chemical Biology, Computational Chemistry, or related discipline (or MSc + 3+ years of relevant experience).
- Proven experience in structure-based drug design and ligand pose evaluation.
- Familiarity with AI/ML-based molecular design platforms.
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