Develop & Implement novel methods and algorithms for small molecule drug discovery.
This is an opportunity to:
- Truly innovate @ the intersection of biophysics & AI for designing and predicting small molecules and their interactions.
- Develop and implement novel methods and algorithms for the modeling and designing of small molecules and their interactions with proteins.
- Have high visibility in a world-class organization with the opportunity to make meaningful contributions on a global scale.
- Conceive and develop cutting-edge computational strategies to address key research and healthcare needs.
- Develop, test, deploy, and maintain industry-quality pipelines on cloud infrastructure.
MUST have:
- PhD in a STEM field with expertise in developing computational approaches to solve biological problems. Biotech, TechBio, BioPharma experience OR leading author, publishing relevant research.
- Experience developing and implementing novel methods and algorithms for the modeling and designing small molecules and their interactions with proteins.
- Experience developing novel AI, structure, or sequence-based methods for small molecules.
- Biotech, TechBio, BioPharma-related experience OR publishing research/tools in said area.
HIGHLY favored experience:
- Prediction software and design work for small molecule–protein interactions(Autodock, Dock, DiffDock, Rosetta, RoseTTAFold-AllAtom)
- Training AI models for small molecules.
- Virtual screening approaches.
- Molecular dynamics simulations experience, conformational sampling, and dynamics-related calculations (e.g., FEP)
- Cheminformatics building block software such as RDKit.
- Understanding of modern deep learning & ML frameworks.
- Modern software development and cloud services, e.g., Git, Docker, AWS Batch, Step Functions, EKS, etc.
