Computational Chemist

Cambridge, MA
Apr 14, 2021
Science/R&D, Chemistry
Required Education
Bachelors Degree
Position Type
Full time

Black Diamond Therapeutics is a precision oncology medicine company pioneering the discovery and development of small molecule, tumor-agnostic therapies. Black Diamond targets undrugged mutations in patients with genetically defined cancers for whom limited treatment options currently exist. Black Diamond is built upon a deep understanding of cancer genetics, protein structure and function, and medicinal chemistry. The Company’s proprietary technology platform, Mutation-Allostery-Pharmacology, or MAP, platform, is designed to allow Black Diamond to analyze population-level genetic sequencing data to identify oncogenic mutations that promote cancer across tumor types, group these mutations into families and develop a single small molecule therapy in a tumor-agnostic manner that targets a specific family of mutations.


The Discovery Team at Black Diamond Therapeutics is looking for a creative and self-motivated scientist with broad experience to apply her/his expertise and knowledge in the art of computational chemistry to drug discovery programs. Reporting to the Director of Computational Chemistry, and based in our office in Cambridge, USA, the right candidate will support projects across all stages of discovery from early target selection through to development candidate nomination. She/he will interact and collaborate cross-functionally with scientists across the drug discovery organization.



  • Apply computational techniques to advance projects at all phases of drug discovery, from target validation and hit generation to lead optimization and candidate selection
  • Collaborate with discovery chemists and bioinformaticians to maximize computational impact on structure-, ligand-, and property-based design of selective molecules targeting allosteric mutant proteins
  • Contribute, assist, and advise in the design, evaluation, and prioritization of new analogues for medicinal chemistry projects.
  • Build and drive computational strategies to guide the design of small molecules with improved potency, selectivity, and ADME properties
  • Develop testable hypotheses and deliver computational tools for predicting mutant selectivity, ADME, and in vivo pharmacokinetics.
  • Propose and develop new modeling approaches to enhance existing workflows.
  • Develop and enhance the cheminformatics and database systems at Black Diamond.


  • A Ph.D. in Computational Chemistry or a related discipline
  • You have spent several years in industry developing and applying modern computational chemistry and cheminformatics to drug design.
  • You are an expert in using virtual screening, data mining, machine learning, pharmacophore development, homology modeling, structure-based and ligand-based drug design, molecular dynamics.
  • You are familiar with ORION and software from OpenEye, Python programing, statistical analysis, and artificial intelligence.
  • You have a working knowledge of medicinal chemistry and drug discovery
  • You thrive in a fast-paced, rapidly changing environment.
  • Excellent written, verbal and presentation skills are required.
  • You’re an honest communicator with the ability to present data clearly to experts and non-experts alike.
  • You have demonstrated your impact by supporting publications, presentations, and/or patents.
  • You have a strategic perspective and demonstrated ability to work in a rapidly changing, fast-paced environment.
  • Your interpersonal and communication skills allow you to work effectively as part of cross functional teams.
  • You are committed to building and maintaining an energetic, collaborative, and open culture.


Work Environment:

This job operates in a professional office environment. This role routinely uses standard office equipment.


Physical Demands:

The physical demands described here are representative of those that must be met by an employee to successfully perform he essential functions of this job.

While performing the duties of this job, the employee is occasionally required to stand; walk; sit; used hands to fingers, handle, or feel objects, tools, or controls; reach with hands and arms; climb be stairs; talk or hear. The employee must occasionally lift or move office products and supplies, up to 20 lbs.

Black Diamond Therapeutics is an equal opportunity employer and welcomes and encourages all applications.  Diversity and inclusion are important core values and will encourage our creativity and growth as a company.  Accommodations are available on request for candidates taking part in all aspects of the selection process.  We thank all applicants for their interest, however, only those selected will be invited for an interview.

Black Diamond Therapeutics values our relationships with our Recruitment Partners and will only accept resumes from those partners who have been contracted by a member of our Human Resources team to collaborate with us. Black Diamond is not responsible for any fees related to resumes that are unsolicited or are received by any employee of Black Diamond who is not a member of the Human Resources team