Senior Scientist, Computational Chemistry

Location United States
Discipline: Pharmaceutical
Job type: Permanent
Contact name: Cherish Becker

Contact email:
Job ref: 10731
Published: 23 days ago

Senior Scientist, Computational Chemistry


  • The Scientist will use computational methods in small molecule drug discovery projects in close partnership with chemistry and therapeutic areas.
  • We have invested in exploring molecular dynamics and free energy calculations both internally and via collaborations and a key aspect of this role will be to apply and test the new science in on-going projects.
  • We also seek efficient implementation of technically difficult protocols via python notebooks or similar platforms. Therefore we are looking for good technical background and simulation expertise.
  • As a collabartor in drug discovery projects, develop and execute clear computational strategies to design complex molecules particularly using state of the art simulation approaches.
  • Work in close collaboration with expert groups in AI/ML and simulation fields to implement novel computational approaches in an efficient way to aid small molecule drug discovery
  • Participate in shaping and implementing structure-based strategies that support drug discovery at Janssen, including advanced molecular dynamics and free energy methods. Develop protocols suitable for non-expert colleagues in the computational group
  • Play a leading role in collaborations with industry and academic partners and help the integration of new science to internal project applications
  • Ensure optimal interaction/communication with project teams, deliver impact from computational methods, and provide updates on project status to discovery leadership


  • A PhD in computational chemistry or a related field with 1-2 years of experience applying computational chemistry in a drug discovery setting is preferred
  • Expertise in applying advanced structure-based methods such as molecular dynamics or free energy methods
  • Postdoctoral experience and/or experience in the biopharmaceutical industry is preferred
  • Strong problem-solving skills for developing creative, innovative solutions, and meeting project objectives are required
  • Demonstrated influence, negotiation, and conflict resolution skills, including the ability to succeed within a matrix environment are required
  • Strong track record of scientific contributions including peer reviewed first-author publications
  • Expertise with open-source or other academic standard simulation packages as well as demonstratable technical skils in scripting, python and/or equivalent language
  • A good understanding of chemistry and small molecule/protein interactions as relevant in drug discovery
  • Up to 10% travel both domestically and internationally is required


For more information please contact me at:  +31 (0)20 20 44 502 or