Senior/Principal Scientist, Computational Chemistry

Added: 15/01/2021

REF: 5850

Contract: Permanent

Location: Cambridge, Massachusetts, United States

This is a mid sized Biotech in the Boston/Cambridge area and they are looking for a results oriented, strategic thinker to apply computational chemistry, bioinformatics, cheminformatics, and medicinal chemistry design principles to support their drug discovery programs and target identification and validation efforts.


  • Computational Modeling Techniques such as Structure based and Ligand Based
  • Structural bioinformatics  
  • Evaluate the similarities of Targets Class
  • Design of Hopping based compounds
  • Chemical assessment techniques
  • Prediction of physicochemical compounds
  • ADME properties
  • Help in design and selection of compounds
  • Use Cheminformatics techniques 
  • HTS analysis, library design, SAR visualization, etc.
  • Develop and apply of novel computational capabilities
  • FEP, protein simulations, and analysis


Experience and Skillset needed

  • Must have a passion for discovering new medicines that will help to treat disease.
  • A PhD in a related field.
  • At least 5 years of computational chemistry experience.
  • 5+ years of working in a Biotech or Pharma environment.
  • Must be comfortable with the different aspects of modern computational chemistry.
  • Must be able to demonstrate impact in applying computational chemistry in past roles.
  • Publications and Patents must indicate your ability to drive the design/progression of compounds in a drug discovery team setting. 
  • Must have worked as part of a drug discovery team that was in early through to late stage discovery.
  • Must have a strong understanding of medicinal chemistry.
  • Knowledge of DMPK principles, multi-parameter compound design and optimization.
  • Strong interpersonal and communication skills are needed.

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