Senior Specialist, Computational Protein Design

Merck Merck · Pharma · CA

Seeking a Senior Specialist in Computational Protein Design to lead AI- and structure-guided protein design efforts using generative models and ML tools, integrating structural and biophysical intuition for functional optimization of biologics. The role involves building AI-powered iterative design cycles and computational workflows.

What you'd actually do

  1. Familiar with the state-of-the-art generative models (e.g., RFDiffusion, ProteinMPNN, ESM3) and apply these protein design methods within iterative design–test–learn cycles; benchmark approaches against experimental outcomes to guide strategy.
  2. Apply physics-based and ML protein design tools (e.g., Rosetta, AlphaFold2), integrating structural and biophysical intuition to drive functional optimization of biologics, including antibodies, VHHs, bispecifics, and scFvs.
  3. Build AI-powered iterative design cycles that integrate high-throughput screening data and predictive models to improve hit rates, candidate quality, and speed to progression.
  4. Build computational workflows that further program goals, leveraging existing HPC/cloud resources and partnering with other of our company's Research Laboratories teams as needed.

Skills

Required

  • Hands-on experience with modern protein design tools (e.g., AlphaFold, Rosetta, RFDiffusion, ProteinMPNN, ESM, or equivalent), including generative models, model training, fine-tuning, large-scale inference, and performance evaluation in a research setting
  • Proven ability to develop and benchmark computational pipelines for large-scale candidate generation and design library creation
  • Strong protein biophysics intuition with a proven track record of optimizing expression, stability, affinity, and developability, and translating structural and biophysical insights into experimentally validated design outcomes
  • Demonstrated track record through high-impact publications, conference presentations, or open-source contributions in computational protein design or a closely related field
  • Excellent verbal and written communication and collaboration abilities
  • Antibodies
  • Biologics
  • Computational Biology
  • Computational Biophysics
  • Computational Design
  • Generative AI
  • Library Development
  • Model Training
  • Protein Design
  • Protein Engineering
  • Protein Structure
  • Rosetta Studio

Nice to have

  • Deep understanding of protein biophysics and structure–function relationships, with the ability to quickly contextualize and adapt design strategies to new targets
  • Expertise in functional optimization of biologics, especially antibodies
  • Demonstrated proficiency in computational protein design method/algorithm development
  • Prior hands-on wet lab protein engineering experience

What the JD emphasized

  • state-of-the-art generative models
  • ML protein design tools
  • AI-powered iterative design cycles
  • high-impact publications
  • open-source contributions

Other signals

  • AI-guided protein design
  • generative models
  • ML protein design tools
  • AI-powered iterative design cycles