Amgen
Biotech
Sr.DataScientist–ComputationalDrugDiscovery
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“Sr. Data Scientist – Computational Drug Discovery at Amgen. Skills: Molecular Simulation, Machine Learning, Computational Drug Discovery. Design and execute molecular dynamics simulations. Develop and apply machine learning models”
What You'll Achieve.
advance Amgen’s discovery programs; impact programs from target and hit validation through lead optimization and candidate selection; make a lasting impact on the lives of patients
Industry & Context.
generate mechanistic insight; guide experimental design; enable candidate optimization
What They're Looking For.
Must Have
PhD in Computational Biology, Computational Chemistry, Theoretical Chemistry, Biophysics, or a related field, Master’s degree and 3 years of directly related experience, Bachelor’s degree and 5 years of directly related experience
Nice to Have
Postdoctoral or equivalent research experience in molecular simulation, computational biophysics, or AI-accelerated drug discovery, Deep expertise in molecular dynamics simulations of biomolecular systems, including enhanced sampling, rare-event methods, free-energy or kinetics analysis, and interpretation of conformational ensembles, programming skills in Python and experience with modern ML frameworks (e. g. , PyTorch) and molecular simulation / modeling software such as GROMACS, OpenMM, Amber, NAMD, or related tools, Experience deriving machine learning features or representations from molecular simulation trajectories and integrating them with sequence, structural, and experimental data, Proven ability to apply machine learning methods such as supervised learning, deep learning, generative modeling, active learning, or optimization methods to molecular design or drug discovery problems, Experience working with large-scale datasets and high-performance computing environments, including cloud-based platforms (e. g. , AWS), Experience integrating molecular modeling and machine learning with structural and biophysical data, including cryo-EM, X-ray, HDX, or related experimental readouts, Familiarity with software engineering best practices for reproducible scientific computing, including version control (git), testing, containerization (Docker), and workflow orchestration tools, Experience supporting biologics, protein engineering, or large-molecule therapeutic discovery is strongly preferred, scientific communication skills, with a demonstrated publication record, Demonstrated ability to influence cross-functional teams by translating computational results into clear, actionable scientific recommendations
What You'll Do.
Design and execute molecular dynamics simulations
Develop and apply machine learning models
Build integrated modeling frameworks
Incorporate physics-based insights
Develop and scale robust computational workflows
Mentor and provide technical guidance
Collaborate cross-functionally
Evaluate and implement emerging methods
Communicate scientific findings
How You'll Work.
Team & Collaboration
Collaborate cross-functionally with structural biology, protein engineering, and experimental teams; Partnering with structural biology, protein engineering, computational and data sciences, and experimental discovery teams; Influence cross-functional teams
Communication Scope
Communicate scientific findings and recommendations clearly through presentations, technical documentation, and publications; scientific communication skills; translating computational results into clear, actionable scientific recommendations
Full Job Description
## **Career Category** Scientific ## ## **Job Description** ## Join Amgen’s Mission of Serving Patients At Amgen, if you feel like you’re part of something bigger, it’s because you are. Our shared mission—to serve patients living with serious illnesses—drives all that we do. Since 1980, we’ve helped pioneer the world of biotech in our fight against the world’s toughest diseases. With our focus on four therapeutic areas –Oncology, Inflammation, General Medicine, and Rare Disease– we reach millions of patients each year. Amgen is advancing a broad and deep pipeline of medicines to treat cancer, heart disease, inflammatory conditions, rare diseases, and obesity and obesity-related conditions. As a member of the Amgen team, you’ll help make a lasting impact on the lives of patients as we research, manufacture, and deliver innovative medicines to help people live longer, fuller happier lives. Our award-winning culture is collaborative, innovative, and science based. If you have a passion for challenges and the opportunities that lay within them, you’ll thrive as part of the Amgen team. Join us and transform the lives of patients while transforming your career. **Sr. Data Scientist – Computational Drug Discovery** **What you will do** Let’s do this. Let’s change the world. We are seeking a Data Scientist with strong expertise in molecular simulation and machine learning to join the AI & Data for Engineered Biologics team within Amgen’s Large Molecule Discovery (LMD) organization. In this vital role you will advance Amgen’s discovery programs through the development and application of molecular simulation, structural modeling, and machine learning approaches for large-molecule therapeutic design. You will work at the interface of physics-based modeling and data-driven prediction to generate mechanistic insight, guide experimental design, and enable candidate optimization across biologics discovery workflows. The successful candidate will work in a highly collaborative, mul
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