Job Postings
Scientist - Computational Chemistry
Position Title:
Scientist- Computational Chemistry
Location: Broad Institute - Cambridge
Region: Massachusetts
Requisition Number: 3010

About CDoT:

The purpose of the Center for the Development of Therapeutics (CDoT) is to advance the Institute's diverse and growing number of exciting therapeutics projects. The mission of CDoT is to partner with researchers across the Broad community and external collaborators to: (1) drive forward Broad's therapeutics-focused projects (in areas including oncology, cardiovascular disease and diabetes, psychiatric disease, infectious disease, etc.); (2) provide a home for the Institute's cutting-edge therapeutics expertise and methods; and (3) provide outreach to enable smaller-scale efforts in chemical biology and screening at Broad. CDoT's current portfolio includes a wide-range of scientific projects being pursued with philanthropic partners, biopharmaceutical companies and other collaborators; the Broad is committed to continuing to build this portfolio over time. 


The successful candidate will primarily support medicinal chemistry efforts to advance current therapeutic projects within the Center through structure-based and ligand-based modeling approaches. Work will be done in collaboration with scientists with extensive drug discovery experience in cell biology, biophysics, cheminformatics, structural biology, analytical chemistry, protein science, and NMR.

Characteristic duties:
  • Contribute to drug discovery efforts by applying computational chemistry approaches such as ligand docking, molecular dynamics simulations, pharmacophore modeling, QSAR/ADMET models, and small library design.
  • Generate, assess, and prioritize ligand designs using modeling tools such as those found in Cresset, CCG, OpenEye, and Schrodinger packages.
  • Analyze prospective protein targets for druggability and therapeutic relevance using computational methods and available databases
  • Communicate and collaborate effectively with medicinal chemists, structural biologists and other members of cross-functional project teams
  • Ph.D. in physical organic chemistry, computational chemistry, computational biology, or related field is required
  • Minimum 3 years of postdoctoral or industrial experience relevant to drug discovery is preferred.
  • Ability to work independently and collaboratively in a multidisciplinary, team-oriented environment.
  • Strong oral and written communication skills
  • State-of-the-art knowledge of standard and advanced computational chemistry methods and software.
  • Effective communication of data and structural designs using graphics and interactive sessions.
  • Demonstrated skills in the application of computer-assisted drug design using modeling and computational software
  • Experience in molecular dynamics simulations and free energy perturbation calculations would be desirable
  • Analyzes literature and project data to generate hypotheses and novel ligands
  • Able to handle multiple exploratory and drug discovery projects
  • Working knowledge of medicinal chemistry and drug discovery
  • Advanced knowledge of UNIX/Linux and queueing systems, and cloud computing solutions to perform large calculations
  • Programming experience in scripting languages including R and Python and/or programming languages (Java, C, C++). Experience with web application and database design desirable.
  • Maintain and develop working knowledge of contemporary computational chemistry methods and their use in ligand design and data analysis as applied to drug design projects.

EEO & Employment Eligibility:

EOE/Minorities/Females/Protected Veterans Disabilities


To apply, please visit - Posting link