Senior Scientist, Computational Chemistry

Key Skills

Java Programming, Design, Python Programming, SQL, Machine learning techniques, Deep Learning, Data Modeling, Large scale data processing

Job Description

Are you looking for a patient-focused, innovation-driven company that will inspire you and empower you to shine? Join us as a Sr Scientist, Computational Chemistry in San Diego, CA.

At Takeda, we are transforming the pharmaceutical industry through our R&D-driven market leadership and being a values-led company. To do this, we empower our people to realize their potential through life-changing work. Certified as a Global Top Employer, we offer stimulating careers, encourage innovation, and strive for excellence in everything we do. We foster an inclusive, collaborative workplace, in which our global teams are united by an unwavering commitment to deliver Better Health and a Brighter Future to people around the world.

OBJECTIVES/PURPOSE

• Work as part of a multi-disciplinary team of medicinal chemists, structural biologists, and biologists and provide computational expertise to advance drug discovery projects.
• Contribute to drug discovery efforts across various modalities including small molecules, PROTACs, RNA inhibitors, peptides, and more.
• Participate in the implementation and execution of innovative computational methodologies and tools such as AI, free energy, and cheminformatics approaches to support drug discovery efforts.
• Join Takeda as a Sr Scientist, Computational Chemistry in San Diego, CA.

How you will contribute:

ACCOUNTABILITIES

• Demonstrate an understanding of computational chemistry principles and their application within a multidisciplinary drug discovery environment.
• Independently design, develop and execute research assignments, contributing to multiple projects.
• Contribute to the identification, development, validation, and implementation of innovative computational approaches that improve research productivity and success.
• Provide important technical knowledge and input to project teams to drive decision making in drug discovery projects.

DIMENSIONS AND ASPECTS

Technical/Functional (Line) Expertise

• Experience with a variety of computational tools and methodology including large-scale virtual screening, Ligandability analyses, homology modeling, quantum mechanics, pharmacophore elucidation, machine learning and more against common drug discovery targets (GPCRs, Kinases etc.).
• Comprehensive experience in data mining and data analysis.
• Familiarity with organic and synthetic chemistry concepts.
• Provide project teams with computational strategies to inform, influence, and prioritize designs for potency/selectivity and improve ADME/Tox endpoints.
• Contribute to the development and deployment of design and/or AI platforms to impact drug discovery.
• Identify and implement novel computational chemistry algorithms, technologies, and workflows.
• Familiarity with standard computational chemistry software including Schrodinger Suites, KNIME, and more.
• Proficiency in scientific scripting and programming languages including python.

Leadership

• Identifies, plans and executes novel scientific projects and lead platform initiatives.

Decision-making and Autonomy

• Independently manages workload and expectations
• Scientifically independent
• Influence decision making within the department
• Lead a computational chemistry initiative such as holo structure prediction, Ligandability analyses, and large scale virtual screening workflows.

Interaction

• Conducts scientific presentations to internal audiences
• Ability to work collaboratively with cross functional scientists and across geographic areas.

Innovation

• Receives high level instructions on all work, determines methods on new assignments, works closely with manager

Minimum Requirements/Qualifications:

• PhD degree in Chemistry, and 4+ year’s experience in industry
• KNIME experience
• Python experience
• High throughput screening and Virtual screening triaging experience required
• Experience modeling GPCRs
• Experience supporting project teams
• Machine Learning/AI experience required
• Deep learning model experience required
• Synthetic feasibility experience preferred
• Industry experience preferred

What Takeda can offer you:

• Comprehensive Healthcare: Medical, Dental, and Vision
• Financial Planning & Stability: 401(k) with company match and Annual Retirement Contribution Plan
• Health & Wellness programs including onsite flu shots and health screenings
• Generous time off for vacation and the option to purchase additional vacation days
• Community Outreach Programs and company match of charitable contributions
• Family Planning Support
• Flexible Work Paths
• Tuition reimbursement