Superluminalrx
Senior Scientist - Principal Scientist, Computational Chemistry
Boston, MA · Principal
Sponsorship not specifiedDetected 63 days ago
PythonAWSLinuxMachine LearningPyTorchscikit-learnPandasNumPyAnimal Studies
About the role
- We are seeking a high-impact Computational Chemist to join our integrated discovery team.
Responsibilities
- Collaborate with a team of interdisciplinary scientists to develop actionable hypotheses and design computational experiments
- Design and prioritize chemical matter specifically aimed at hitting key program milestones, such as establishing in vivo POC, achieving selectivity windows, or optimizing ADMET profiles for candidate selection
- Develop, validate and deploy computational workflows to optimize the "Design-Make-Test-Analyze" cycles and address gaps
- Exceptional ability to communicate the "why" behind a design to a diverse scientific audience
- Design experience working in concert with medicinal chemistry teams to design synthesizable compounds that efficiently work towards defined goals of activity, affinity, selectivity,, etc
- A proven track record for innovation in structure-based small molecule drug discovery including developing and validating new workflows and techniques or expansions of existing ones
- Proven experience using ML to scale physics-based insights, specifically in the context of large-scale virtual screening or FEP-guided lead optimization
Requirements
- 1-3+ years of experience in a biotech or pharma setting performing computational support for small molecule drug discovery
- Advanced knowledge of physics-based and ML computational chemistry packages including knowing when and how to deploy various tools for maximum project impact
- Integrate physics-based simulations with ML predictions to achieve the quantitative accuracy required to prioritize compounds for synthesis
Nice to have
- Skills & Competencies:
- Expert level use of structure-based small molecule drug discovery software tools including protein preparation, docking, FEP, QM, conformer selection. (Schrodinger suite, OpenEye, MOE, etc)
Skills
- Ability to work directly in a Linux-based environment
- Familiarity with cloud computing infrastructure (AWS, GCS) is a plus
- Python scripting and prototyping experience including knowledge of key packages (RDKit, scikit-learn, numpy, pandas, pytorch, etc)
Compensation
- Superluminal offers a comprehensive benefits package that fully covers employees' annual deductibles and monthly premiums for medical, dental, and vision insurance.
Benefits
- Superluminal offers a comprehensive benefits package that fully covers employees' annual deductibles and monthly premiums for medical, dental, and vision insurance.
- The package also includes a 401(k) match program, a Massachusetts transportation subsidy, equity, unlimited paid time off, and both disability and life insurance.
Equal opportunity
- Statement:
- Superluminal Medicines is an Equal Opportunity Employer committed to a culturally diverse workforce. All qualified applicants will receive consideration for employment without regard to race
- religion
- national origin
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