
Molecular Therapies Specialist
3 days ago
About Our Research Initiative
We are building a state-of-the-art AI-driven platform for novel small-molecule therapeutics, integrating structural modeling, generative design, and reinforcement learning agents to explore the chemical space.
This is a strategic role where you will bridge AI outputs with biological and chemical insight to ensure promising designs move forward.
Key Responsibilities:
- Lead ligand pose prediction workflows using state-of-the-art AI and computational docking tools.
- Evaluate protein–ligand binding interactions for fit, contact quality, and structural plausibility.
- Collaborate with AI/deep learning engineers to refine de novo molecular generation strategies.
- Apply drug-likeness, ADMET, novelty, and selectivity criteria to prioritize compound candidates.
- Integrate binding mode insights with biological context to align compounds with target mechanism-of-action.
Qualifications Required:
- PhD or Masters in Medicinal Chemistry, Chemical Biology, Computational Chemistry, or related discipline.
- Proven experience in structure-based drug design and ligand pose evaluation.
- Familiarity with AI/ML-based molecular design platforms.
- Excellent communication skills and ability to work cross-functionally.
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