Head of Computational Assisted Drug Design (CADD)

Beijing or Shanghai, China

About the Role

We are seeking an innovative and experienced Head of CADD to lead our computational chemistry, AI/ML-driven molecular design efforts. You will oversee the integration of cutting-edge computational methods (e.g., molecular modeling, structure-based design, ligand-based design, AI/ML, and molecular dynamics) to accelerate the identification and optimization of novel therapeutics across multiple therapeutic areas.

Key Responsibilities

  • Define and execute the CADD strategy to support small-molecule, biologics, or nucleotide-based drug discovery programs.
  • Collaborate with cross-functional teams (medicinal chemistry, biology, pharmacology/translational medicine, DMPK, clinical development) to drive hit-to-lead and lead optimization.
  • Evaluate and implement emerging computational tools (e.g., AI/ML, quantum computing, cloud-based platforms) to enhance drug design efficiency.
  • Lead in silico drug design efforts:
  • Oversee the analysis of large-scale omics data (genomics, proteomics) for target identification.
  • Guide the use of molecular dynamics simulations and fragment-based drug design.
  • Stay abreast of advancements in CADD, AI/ML, and structural biology

Qualifications

  • PhD in Computational Chemistry, Bioinformatics, Pharmaceutical Sciences, or related fields.
  • 10+ years in CADD (industry experience preferred), with a track record of contributing to drug discovery pipelines.
  • Proven leadership experience managing high performance teams.
  • Expertise in CADD tools: Schrödinger, MOE, OpenEye, GROMACS, Rosetta, etc.
  • Proficiency in programming/scripting (Python, R, Perl) and ML frameworks (TensorFlow, PyTorch).
  • Familiarity with HPC, cloud computing (AWS/GCP), and data visualization tools.
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