Posted to MedZilla on 5/23/2019

Takeda Pharmaceuticals

US-CA, Principal Scientist - Computational Chemistry R0007228-MZ


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Job Description


  • Independently designs and implements extensive scientific research projects. Contributes to multiple projects, acting as senior scientific consultant, may be a project team leader or providing key technical knowledge to a project team
  • Demonstrates a deep understanding of computational chemistry principles and their application within a multi-disciplinary drug discovery environment.
  • Plays a leading role in the identification, development, validation and implementation of innovative computational approaches that improve research productivity and success.
  • Provides expert mentorship and proactively supports the professional development of line reports and colleagues.


  • Provides expert computational science input on hit finding, early hit-to-lead and lead optimization projects to enhance project timelines.
  • Establishes project direction integrating science, key technical knowledge, and program objectives
  • Independently, designs and directs research strategy and activities to meet program objectives; provide leadership, timelines and contingency plans


Technical/Functional (Line) Expertise

  • Demonstrates inter-disciplinary knowledge of drug discovery (in vitro/in vivo pharmacology, ADME, PK/PD/E, translational research & toxicology).
  • Maintains a current appreciation of the scientific literature and understanding of the state of the art in computational chemistry.
  • Experience and strong interest in leveraging machine learning and data analytics methods to enhance drug design programs.
  • Proven track record of scientific contributions in life science as evidenced by quality and quantity of publications/presentations/inventions and/or products and clinical candidates


  • Recognized as a major contributor and/or leader of multi-disciplinary projects, with significant accountability for progress on projects important to achieving site goals.
  • Prepares and organizes data for presentation. Communicates strategy and results in written and oral reports to various levels of management. Communicates research efforts to collaborators, corporate partners, or at scientific meetings.
  • Directs focus and strategic direction of computational chemistry group. Identifies, proposes and develops new solutions to discovery strategy.
  • Strong and effective manager of both junior and senior scientists, demonstrating exemplary behaviors and able to support and enhance career development of all line reports.
  • Scientific driver for research strategy that impacts group internally and outside area of function.
  • Highly motivated and flexible with ability to work in fast-paced environment. Ability to provide novel creative solutions to challenging problems. Desire to learn and tackle new challenges and initiatives.

Decision-making and Autonomy

  • Scientific driver for research strategy that impacts group internally and outside area of function


  • Provides expert input in evaluation of external/partnership opportunities, including participating in diligence exercises. Initiates and leads external interactions and collaborations.
  • Positive can-do attitude with excellent communication and collaboration skills and ability to work with cross-functional scientists. Ability to clearly and concisely conveys ideas and opinions.


  • Develops and tests structure and ligand based design ideas by performing virtual screening, docking, ligand growing, de novo design, homology modeling, conformational analysis, diversity analysis, pharmacophore searching and pharmacophore hypothesis generation.
  • Develops and contributes to company s intellectual property domain by way of patents and publications.


  • Ph.D. in Computational Chemistry (or a related field) with thesis, publication(s), postdoctoral experience, and a minimum of 8 years relevant scientific and technical experience including industry experience, or
  • MS with 12+ years experience, or
  • BS with 14+ years experience


San Diego, CA

Worker Type


Worker Sub-Type


Time Type

Full time

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