Computational Chemistry Software and Methods Developer at SandboxAQ (5 February 2024)

The Simulation and Optimization (S&O) team at SandboxQA has a new opening for a methods developer in their Drug Discovery team. This person’s responsibilities will be at the interface between software and next-generation methods development in quantum, AI, and physics-based methods like molecular dynamics (MD) and free energy perturbation (FEP). The scientist will be joining a seasoned multi-disciplinary group including drug hunters with an excellent track record in drug discovery, computational chemists, physicists, AI experts, and software engineers.

Key responsibilities:

  • Develop computational solutions to address unmet drug discovery needs.
  • Work both independently and with the S&O AQ development team to solve research questions for next-generation technologies in drug discovery.
  • Maintain and improve existing drug discovery methods and software.
  • Use best coding practices and planning tools to raise issues and resolve tickets.
  • Present findings and progress in MD, FEP, molecular docking, quantum, and AI methods to an interdisciplinary team and external collaborators.
  • Apply your expertise in small molecule or biologics modeling to drive methods development decisions.
  • Work in close collaboration with AI experts and cross-functional teams to prototype and scale cutting-edge, impactful drug design solutions.
  • This is an opportunity to directly contribute to the discovery of novel innovative medicines by developing computational chemistry techniques that will support experienced multidisciplinary drug hunters.