Design Lead

1 day ago

India Pattern Agentix Full time
Pattern is building a next-generation 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.

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. You will work in close partnership with a deep learning specialist to combine cutting-edge AI tools with your medicinal chemistry and structure-based design expertise.

This is a strategic, non-lab role — your primary focus will be to bridge AI outputs with biological and chemical insight, ensuring the most promising designs move forward.

Lead ligand pose prediction workflows using state-of-the-art AI and computational docking tools (e.g., DiffDock, EquiBind, Glide, GOLD).

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 using models such as REINVENT, Pocket2Mol, and diffusion-based 3D generators.

Generate clear, actionable compound selection lists for partner synthesis and in-vitro testing.

Contribute to feedback loops by incorporating experimental assay data into ongoing model optimization.

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.

Experience applying drug-likeness rules and property-based filtering in lead prioritization.

Familiarity with pharmacophore modeling and pocket geometry analysis.

Experience in multi-objective optimization (binding, ADMET, novelty).

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 10^60 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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