Chief Computational Medicinal Chemist, Pharmaceutical Innovation

2 weeks ago

London, Greater London, United Kingdom Lifelancer Full time
About Us

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Job Title:

Chief Computational Medicinal Chemist, Pharmaceutical Innovation

Salary: $145,000 - $180,000 per yearAbout the Role

The AI Simulation team at SandboxAQ develops novel drugs and materials using a spectrum of AI and physics-based computational solutions. We are seeking an experienced Chief Computational Medicinal Chemist to join our Drug Discovery team.

  • Apply advanced computational methods to address unmet drug discovery needs.
  • Collaborate with the AI Sim development team to enhance SandboxAQ's technology and Large Quantitative Models (LQMs) for deep impact at scale.
  • Utilize the SandboxAQ computational platform to provide high-impact drug discovery solutions.
  • Translate insights from molecular dynamics, free energy perturbation, molecular docking, quantum, and machine learning methods into actionable and testable drug discovery hypotheses.
  • Work closely with machine learning experts and cross-functional teams to prototype and scale cutting-edge, impactful drug design solutions.
  • By deploying and developing computational methods and workflows, generate and evaluate hypotheses to assist design decisions and influence project direction.
About You
  • PhD in computational physics, computational chemistry, or a related field.
  • 1-5 years of relevant experience, including hands-on experience with computational chemistry applied to drug discovery in the private sector, such as biotech or pharma.
  • Experience in structure-based drug design and familiarity with ligand-based drug design methods.
  • Experience with GPU-accelerated MD codes like OpenMM.
  • Experience with the Python data science stack (Numpy, Pandas, Scipy, etc.).
  • Familiarity with ligand-protein free energy of binding prediction methods like Free Energy Perturbation (FEP) or similar.
  • Familiarity with running computational chemistry / quantum simulations on high-performance computing (GPU) environments for corporate RD, innovation labs, or academic research.
  • An interest in solving scientific problems in chemistry and biology via computational and data-driven methods.
  • A drive to cooperate with colleagues to identify problems and communicate technical solutions in an accessible manner.
  • Hands-on mentality comfortable with getting deep into the technical weeds of highly complex problems, and a track record of driving projects to completion.

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