Computational Chemist

Computational Drug Discovery · Waltham, Massachusetts
Department Computational Drug Discovery
Employment Type Full-Time
Minimum Experience Experienced

Do you have the passion to join a group whose mission is to pioneer the discovery of a new class of medicines to treat diseases unaddressed by today’s therapies?  Does it excite you to be a part of a company with a focus on cancer and genetically-validated targets in other disease areas with unmet medical need?  If yes, you may be a great fit to join Arrakis on our path to bring powerful new therapies to millions of patients.  


Your Impact at Arrakis


The mission of Arrakis Therapeutics is to extend small molecule medicines into new realms of biology by discovering and developing compounds that selectively target RNA (“rSM”). By targeting distinct RNA structure/function relationships, Arrakis is generating drug candidates with novel mechanisms of action for molecular targets that are challenging to drug in disease areas with high unmet medical need.  


We are seeking a computational chemist to join our rapidly growing company in pursuit of targeting RNA with small molecules.  The successful candidate will support all aspects of medicinal chemistry programs from hit to lead and beyond, participate in computational informatics strategies, interface with consultants and collaborate across disciplines within Arrakis.


Leveraging your deep knowledge of Computational Chemistry to drive innovative science to deliver novel therapeutics to patients will allow you to have a major impact on our mission.  The ideal candidate will enjoy working in a collaborative, fast-paced start-up environment, leveraging a high degree of integrity, creativity and innovation.  


Job Responsibilities:


  • Provide computational medicinal chemistry support including but not limited to, SBDD and cheminformatics methods and applications for hit-to-lead progression, initiating new projects, and for new drug target assessments
  • Display an understanding of modern drug discovery including medicinal chemistry and DMPK principles, basic tox and multi-parametric optimization, molecular recognition principles, and the ability to adapt and translate these principles to RNA
  • Support the application and development of desktop tools for scientists.
  • Participate in chem- and structural- informatics strategies, and integrate our state-of-the-art RNA computations into molecular design hypotheses
  • Interface externally with CROs, contractors and scientific collaborators
  • Demonstrate mastery of computational software such as, but not limited to, Molsoft, Cresset, GROMACS or AMBER, and experience with Python programming or molecular scripting languages is a plus




  • PhD in Chemistry or related scientific field with 3-5+ years of experience within pharmaceutical or biotechnology field
  • Mastery of modern computational chemistry including, but not limited to, structure-based design (receptor and ligand-based), scaffold hopping, docking, conformational analysis, QSAR (including modern AI and machine learning), binding free energy calculations and cheminformatics.
  • Ability to learn quickly and to proficiently understand new information. 
  • Ability to structure and process qualitative and quantitative data and draw insightful conclusions. 
  • Exhibits a probing mind and achieves penetrating insights. Generates new and innovative approaches to problems.
  • Ability to adjust quickly to changing priorities and conditions and cope effectively with complexity and change.
  • Ability to communicate the big picture in an inspiring way. 


Arrakis is an Equal Opportunity/Affirmative Action Employer. All qualified applicants will receive equal consideration for employment without regard to race, color, religion, national origin or ancestry, sex, pregnancy, sexual orientation, gender identity, age, disability, military service, veteran status, genetic information, or any other characteristic protected by law.


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  • Location
    Waltham, Massachusetts
  • Department
    Computational Drug Discovery
  • Employment Type
  • Minimum Experience