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Roivant Sciences // biomedical research
Roivant Sciences, 151 West 42nd Street, 15th Floor, New York City 10036    Posted: Saturday, May 29, 2021
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Company Description:

At Roivant, we are passionate about discovering & developing new drugs to impact patients lives. Since its inception in 2014, Roivant has launched over 20 portfolio companies (Vants), overseen 5 successful IPOs, established a $3B partnership with a global pharma, built a pipeline of over 40 assets across various modalities & therapeutic areas, & delivered 8 successful phase 3 readouts.

Roivant is currently building new capabilities in drug discovery & expanding its existing development engine to become the worlds leading tech-enabled pharmaceutical company. Roivants drug discovery capabilities are driven by our computational discovery platform, which combines preeminent physics-based tools with deep expertise in machine learning to generate unprecedented predictive power that can tackle previously intractable discovery challenges. The tight integration of this computational platform with our experimental capabilities enables the rapid design & optimization of new drugs to address a wide range of targets for diseases with high unmet need.

We believe that the future of drug discovery lies in integrating predictive sciences, biology, & medicinal chemistry to accelerate the path to new medicines. This role is an opportunity to be an architect of this paradigm shift & generate transformative benefit for patients.

Position Summary: 

 Roivant Discovery is looking for an experienced computational chemist to join our computational platform team. Working closely with other platform team members, the candidate will lead & expand a team to develop & implement molecular simulation & free energy methods to enable computation-driven drug discovery. Competitive pay, equity, strong perks, & a fun working environment, along with the opportunity to do cutting edge science to design better medicines, are all good reasons to join us! Learn more at and Please find the job description below: 


  • Assemble & lead a team to develop & implement models & methods in molecular simulations & free energy calculations, including but not limited to 
  • Develop & implement new free energy methods to improve the precision and accuracy of binding free energy predictions 
  • Develop and implement new interaction models in simulation software to improve predictive accuracy in binding free energy calculations 
  • Develop new protocols to expand the domain of applicability of free energy methods, e.g., to predict the relative stability of protein-protein complexes induced by molecular glues 
  • Develop end-to-end workflows of robust binding free energy calculations with automatic quality assurance 
  • Collaborate with platform teams to deploy the above methods in target evaluation & drug discovery projects to enable or substantially accelerate such efforts 
  • Work with experimental groups to validate and benchmark the computational models in drug discovery projects, & communicate the benchmark results and project impact across the company 
  • Work with scientific leadership at Silicon-Roivant to develop the strategy for company success through accurate simulations & free energy calculations 
  • Recruit top talents, mentor the team, develop individual skillsdemonstrate leadership, and support an inclusive culture of scientific innovation 

 Required Qualifications:  

  • Highly motivated to develop computational methods for discovering better medicines 
  • M.S. or Ph.D. in computational physics/chemistry, physical chemistry/chemical physics, applied mathematics, or related fields 
  • Extensive experience in molecular dynamics simulations and free energy calculations 
  • Extensive programming experience (C/C++ & Python preferred) 
  • Excellent communication skills & strong team player 

 Additional Desirable Qualifications:  

  • Experience working with a diverse team on an ambitious project 
  • Experience in collaborating with experimental scientists 



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