AI-Driven Medicinal Chemist

5 days ago

Kolkata, West Bengal, India beBeeLigand Full time ₹ 1,80,00,000 - ₹ 2,00,00,000
About the Role

We are seeking a Ligand Design & Pose Prediction Lead to guide de novo small-molecule exploration, interpret protein–ligand binding predictions, and prioritize compounds for synthesis/testing.

This role involves close collaboration with a deep learning specialist to combine cutting-edge AI tools with your medicinal chemistry and structure-based design expertise.

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.

Job Requirements

  • PhD or Masters in Medicinal Chemistry, Chemical Biology, Computational Chemistry, or related discipline.
  • Proven experience in structure-based drug design and ligand pose evaluation.
  • Strong working knowledge of protein–ligand binding principles.

Benefits

You'll be joining at the frontier of AI-guided drug discovery, working side-by-side with deep learning experts to build a platform capable of efficiently searching through vast chemical possibilities. Your expertise will directly shape the quality and novelty of our candidate compounds, accelerating the path from target to therapy.

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