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Scientist (Computational Chemical Biology and Fragment-Based Design), BII Job Opening In Singapore, Singapore – Now Hiring A*STAR

Scientist (Computational Chemical Biology and Fragment Based Design), BII

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Job description

Job Description:


We are looking for a highly motivated computational scientist with a deep understanding of chemistry, cheminformatics, and structural biology to develop new AI models for ligand discovery.

You will be working on a large collaborative project to build up A*STAR computational drug discovery capabilities.

The candidate is expected to be familiar with the latest generative models.

Familiarity with molecular dynamics simulations and docking software is a plus.

Key Responsibilities:

  • Develop and implement AI-driven models for ligand discovery, with a focus on generative models.


  • Collaborate closely with multidisciplinary teams to integrate computational methods with experimental research.


  • Contribute to advancing A*STAR computational drug discovery capabilities, applying cutting-edge techniques in molecular modeling, machine learning, and data science.


  • Stay abreast of the latest developments in AI and molecular modelling.


  • Communicate research findings effectively, both in written and oral formats, to diverse audiences including scientific teams and stakeholders.

  • Job Requirements:

  • Master or PhD degree in life sciences, chemistry, computational biology, biomedical engineering, or a related discipline.


  • Passion for science and research.


  • Highly motivated.


  • Proficiency in the use of machine learning frameworks (e.g. PyTorch, TensorFlow).


  • Experienced in developing generative models.


  • Strong knowledge of chemistry, cheminformatics, and structural biology.


  • Experience in performing molecular dynamics simulations and docking is advantageous.


  • Able to work independently and as part of a team.


  • Excellent written and oral communication skills.
  • Required Skill Profession

    Life Scientists


    • Job Details

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