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ISIsomorphic Labs

Computational Drug Designer(m/w/x)

Lausanne
Full-timeWith Home OfficeSenior
AI/ML
Data Science

Advancing drug programs at biotech applying frontier AI for structure-based design. PhD in computational chemistry or equivalent, 5+ years industrial CADD experience required. Hybrid working model.

Requirements

  • PhD in Computational, Medicinal, Synthetic Organic Chemistry, or equivalent industrial experience
  • 5+ years industrial experience in computational chemistry (CADD)
  • Strong foundational knowledge of modern computational chemistry
  • Proven track record in structure-based drug design (SBDD)
  • Experience writing Python scripts or utilizing pipelining tools
  • Passion for applying AI/ML to drug design
  • Excellent communication and interpersonal skills
  • Strong growth mindset and eagerness to learn
  • Experience managing activities at CROs (Nice to have)
  • Familiarity with medicinal chemistry techniques (Nice to have)
  • Knowledge of specific drug discovery approaches (Nice to have)
  • Basic understanding of DMPK principles (Nice to have)
  • Fluency in Python for tool development (Nice to have)
  • Track record of scientific authorship or inventorship (Nice to have)

Tasks

  • Apply modern drug design principles to advance programs
  • Utilize state-of-the-art AI for computational drug design
  • Provide strategic direction to the platform teams
  • Collaborate with internal and third-party organizations
  • Deliver data-driven designs and technical solutions
  • Prepare detailed scientific proposals and reports
  • Mentor and support the development of junior colleagues
  • Champion a culture of inclusion and professional development

Education

  • Doctoral / PhD

Languages

  • EnglishBusiness Fluent

Tools & Technologies

  • Python
  • cheminformatics
  • virtual screening
  • docking
  • machine learning models
  • structure-based drug design (SBDD)
  • pipelining tools
  • AI/ML
  • data analysis software
  • ADMET principles
  • fragment-based drug design (FBDD)
  • PROTACs
  • molecular glues
  • PPI inhibitors
  • DMPK principles

Benefits

Flexible Working

  • Hybrid working model
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