Title: Principal Scientist, Computational Chemistry

Location: Waltham, MA

About the Company

Entasis Therapeutics is a clinical-stage biopharmaceutical company focused on the discovery, development, and commercialization of novel antibacterial products to treat urgent and serious infections as prioritized by the CDC and WHO.  The innovative and robust pipeline include two late-stage programs against highest-priority pathogens - sulbactam-durlobactam (SUL-DUR) (targeting A. baumannii infections) and zoliflodacin (targeting Neisseria gonorrhoeae).  Three additional programs in early-stage development include ETX0462 against Pseudomonas aeruginosa, ETX0282CPDP against MDR cUTIs, and NBP2 for Gram (-) infections. 


Job Description

  • Use state of the art computational chemistry approaches to assist in the design and advancement of novel antibacterials in close collaboration with the medicinal chemistry team
  • Contribute to compound design and overall medicinal chemistry plan for all portfolio projects
  • Drive biological data analysis, SAR interpretation and visualization within project teams
  • Propose novel target ideas and develop early project proposals
  • Work independently and collaboratively across all disciplines within company and with external collaborators: understand the requirements across all portfolio projects and work with team members to deliver against aggressive timelines
  • Demonstrate teamwork and promote an open and innovative culture within a cross discipline environment
  • Work in compliance with all company policies


  • PhD in computational chemistry with 5+ years of research experience in a biopharmaceutical setting
  • In-depth knowledge of structure-based drug design, modern computational chemistry techniques and cheminformatics tools
  • Strong knowledge of medicinal and physical chemistry concepts with demonstrated impact on several drug discovery campaigns
  • Strong publication record in peer-reviewed journals and/or evidence of sustained contributions to the industry
  • Team player with a positive and proactive attitude with respect to out-of-box thinking, multitasking and willingness to learn and challenge status quo
  • Excellent writing and verbal communication; strong computer, scientific, and organizational skills
  • Able to operate effectively in a multidisciplinary matrix research environment

Desired Skills

  • Experience in molecular dynamics and metadynamics (calculation and analysis)
  • Ability to identify, lead and drive external collaborations
  • Experience with design and virtual screening of covalent inhibitors with relevant impact on corresponding medicinal chemistry projects
  • Practical knowledge of antibacterial drug discovery, especially of preclinical research projects focused on Gram-negative pathogens
  • Programming/scripting capabilities

Business Knowledge

Candidate should also have a good understanding of preclinical drug discovery path from idea to clinical candidate. Understands how the different disciplines contribute to the discovery projects and is fully able to represent their own discipline in a cross-disciplinary environment.


Entasis is proud to be named one of the BEST workplaces in HealthCare and Biopharma by the Great Place to Work Institute and Fortune Magazine!

Entasis offers a comprehensive benefits package to all eligible employees including health, dental, vision, 401(k), Health Savings Account, Employee Assistance Program, Short/Long Term Disability Insurance, and Paid Time Off. 

Entasis is an equal opportunity workplace and participates in E-Verify.  We welcome diversity and are committed to creating an inclusive environment for all employees.   All employment is decided on the basis of qualifications, merit, and business need.  All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, disability status, protected veteran status or any other status protected by law.

Entasis considers the health and safety of it’s employees and community a top priority.  To be employed by Entasis you will be required to be fully vaccinated or to have met the legal criteria for a reasonable accommodation.  If you have any questions or concerns, please discuss them with your recruiter during the application/interview process.

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