Lead Ligand Design Specialist

2 weeks ago

Bharatpur, Rajasthan, India beBeeDesign Full time ₹ 19,00,000 - ₹ 24,25,000
Ligand Design and Pose Prediction Lead

We seek an expert to lead de novo small-molecule exploration, interpret protein–ligand binding predictions, and prioritize compounds for synthesis/testing.

Key Responsibilities
  • Oversee ligand pose prediction workflows using cutting-edge 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 from Pattern's Knowledge Graph.
  • Generate clear, actionable compound selection lists for partner synthesis and in-vitro testing.
Qualifications Required
  • PhD or Master's degree 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.
  • Familiarity with AI/ML-based molecular design platforms.
  • Ability to work with predicted protein structures and assess binding pockets.

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