Introduction to role: Are you ready to turn bold science into precision therapies that change patients’ lives? As a Senior Computational Chemist, you will harness structure-based design, ligand-based approaches, and modern AI/ML to guide high-impact discovery programs across new modalities. You will help shape how we design and select the next generation of targeted medicines, translating complex data into clear decisions. Joining a collaborative, cross-functional team of scientists, you will influence strategy from the very first ideas through to candidate selection. You will work at pace with colleagues in medicinal chemistry, biology, biophysics, and beyond to shorten design cycles, raise confidence in our choices, and bring the best molecules forward. How will you apply your expertise to drive smarter experiments and deliver more for patients? Accountabilities: Hypothesis-Driven Design: Generate testable design hypotheses, integrating structural insights, SAR, and biophysical data to guide medicinal chemistry and accelerate decision-making. Structure- and Ligand-Based Modelling: Apply docking, pharmacophore modeling, and data-driven design to prioritize compounds that improve potency, selectivity, and developability. AI/ML Modelling: Build, validate, and deploy predictive models using contemporary toolkits to support high-throughput experiment design and increase hit-to-lead success. New Modalities Modelling: Develop and refine computational methods for antibody–drug conjugates and bifunctional, proximity-inducing agents, expanding design capabilities beyond small molecules. Cross-Functional Collaboration: Partner closely with medicinal chemistry, biology, biophysics, DMPK, and safety sciences to align models with mechanistic understanding and project goals. Scientific Communication: Present clear, compelling results internally and externally, ensuring insights land with stakeholders and contribute to publications and scientific reputation. Impact and Progression: Deliver immediate project acceleration while contributing reusable methods, workflows, and best practices that raise the standard of computational chemistry across programs. Essential Skills/Experience: A Ph.D. in computational chemistry or a related field. Minimum 1 year of experience Deep knowledge of one or more areas of computational chemistry, such as quantum mechanics, molecular dynamics, structure-based drug design, or ligand-based drug design. Experience with AI/ML software toolkits for modelling chemical and biological data, such as RDKit, ChemProp, DeepChem, PyTorch, and scikit-learn. Excellent problem-solving skills, with a proven track record of scientific publications and presentations. When we put unexpected teams in the same room, we unleash bold thinking with the power to inspire life-changing medicines. In-person working gives us the platform we need to connect, work at pace and challenge perceptions. That's why we work, on average, a minimum of three days per week from the office. But that doesn't mean we're not flexible. We balance the expectation of being in the office while respecting individual flexibility. Join us in our unique and ambitious world. The annual base pay for this position ranges from 124,713.60 - 187,070.40 USD Annual [80% - 120% ]. Our positions offer eligibility for various incentives—an opportunity to receive short-term incentive bonuses, equity-based awards for salaried roles and commissions for sales roles. Benefits offered include qualified retirement programs, paid time off (i.e., vacation, holiday, and leaves), as well as health, dental, and vision coverage in accordance with the terms of the applicable plans. Why AstraZeneca: Here you will advance science that matters, supported by significant investment, cutting-edge technology, and a rich pipeline spanning multiple indications. We bring diverse specialists together to spark ideas, publish in top journals, and partner with leading medical centers—translating discovery into therapies that reach patients faster. You will be empowered to ask bold questions, take smart risks, and see your work move from model to medicine, all within a culture that values kindness alongside ambition. Call to Action: If you are ready to turn computational insight into targeted therapies with real patient impact, step into this role and help shape the future of oncology discovery today! Date Posted 06-Nov-2026 Closing Date 06-Dec-2026 Our mission is to build an inclusive environment where equal employment opportunities are available to all applicants and employees. In furtherance of that mission, we welcome and consider applications from all qualified candidates, regardless of their protected characteristics. If you have a disability or special need that requires accommodation, please complete the corresponding section in the application form. AstraZeneca is a global, science-led, patient-focused biopharmaceutical company. We focus on discovering, developing and commercialising prescription medicines for some of the world’s most serious diseases. But we are more than one of the world’s leading pharmaceutical companies. At AstraZeneca, we’re dedicated to being a Great Place to Work. Where you are empowered to push the boundaries of science, challenge convention and unleash your entrepreneurial spirit. To embrace differences and take bold actions to drive the change needed to meet global healthcare and sustainability challenges. There is no better place to make a difference in medicine, patients, and society. An inclusive culture where you will connect different thinking to generate new and valuable opportunities. Where you will find a commitment to lifelong learning, growth and development for all. Our Inclusion & Diversity (I&D) mission is to create an inclusive and equitable environment where people belong, using the power of our diversity to push the boundaries of science to deliver life-changing medicines to patients. Inclusion and diversity are fundamental to the success of our company, because innovation requires breakthrough ideas that only come from a diverse workforce empowered to challenge conventional thinking. We’re curious about science and the advancement of knowledge. We find creative ways to approach new challenges. We’re driven to make the right choices and be accountable for our actions. As an organisation centred around what makes us human, we put a big focus on people. Across our business, we want colleagues to wake up excited about their day at the office, in the field, or in the lab. Along with our purpose to bring life-changing medicines to people across the globe, we have a promise to you: to help you realise the full breadth of your potential. Here, you’ll do work that has the potential to change your life and improve countless others. And, together with your team, you’ll shape a culture that unites and inspires us every day. This is your life at AstraZeneca.

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