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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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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 seeks an outstanding computational chemist with experience in applying state-of-the-art computational methods to drive the design of small-molecule drugs against biological macromolecules associated with disease.

Job Responsibilities

  • Work with medicinal chemists & computational scientists to interpret structural information, simulation & modeling data, to efficiently optimize drug candidates.
  • Communicate simulation data & molecular design rationales to cross-functional teams to help drive project decision making.
  • Apply state-of-the-art computational methods to interrogate protein dynamics, structure, & function to support internal drug discovery projects.
  • Routinely engage internal simulation experts & scientific programmers to develop & improve proprietary computational applications that are aligned with project deliverables.
  • Assist portfolio management by providing structural & computational conclusions about targets.
  • Maintain a working knowledge of contemporary computational chemistry methods & their use in molecular design & data analysis as applied to drug design projects.


  • PhD with 2+ years industry experience in computational chemistry, structure-based & computer-aided drug design, medicinal chemistry, structural biology or related field.
  • Hands-on experience & deep understanding of state-of-the-art computational techniques, including docking, protein dynamics, homology modeling, & free energy methods (both alchemical & path-based).
  • Fundamental knowledge of structure-based drug design (SBDD), ligand conformation, protein structure & function, & protein- ligand interactions.
  • Comfortable with command-line based computational environment & proficient with scientific programming using Python. 
  • Deep expertise & sold track record of productivity as evidenced by publications in high-impact peer-reviewed journals and/or patents. 
  • Desire to work on a multidisciplinary team with chemists, biologists, & biophysicists on drug discovery projects.  
  • Highly organized, detailed-oriented with excellent communication skills  
  • Views the toughest challenges as the greatest opportunities for personal growth & company innovation  
  • Demonstrates tenacity & willingness to go the distance to achieve goals  
  • Commitment to building a world-class drug discovery organization 
  • Proven record of innovative thinking & a willingness to champion new ideas & solutions 
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