Experienced Computational Chemist

The Role

Our computational sciences team is looking to expand our expertise in computational chemistry. The computational sciences group is a cross-disciplinary team comprised of computational chemists, computational biologists, data scientists, cheminformaticians, and machine learners deeply embedded in our project teams and making contributions critical to MOMA’s mission. In this role, you will have the opportunity to shape the team and learn new areas of computational sciences by wearing many hats and see drug discovery from all angles.

Key responsibilities include (but are not limited to) the following:

• Deliver computational chemistry solutions to support drug discovery programs, including the development and deployment of tools and analyses that drive medicinal chemistry decisions across target assessment, hit identification, and lead optimization.


• Explore cutting-edge computational technologies to a) discover and optimize small molecules targeting structurally dynamic proteins b) accelerate the development of covalent inhibitors through reactivity prediction, target occupancy prediction, PK/PD/efficacy analysis and covalent library design.


• Proactively translate project team challenges into computational problems, collaborate with data scientists and cheminformaticians to deliver robust and effective solutions.

Key qualifications include the following:

• PhD degree in computer science, computational chemistry, or related fields with 2+ years relevant drug discovery experience in a pharmaceutical or biotechnology setting.  (position level will reflect experience).


• Demonstrated experience applying computational chemistry strategies — including structure-based drug design, ligand-based drug design, molecular dynamics, and cheminformatics — across all stages of small molecule drug discovery.


• Proficient in scientific programming and tool development.


• An understanding of modern drug discovery including medicinal chemistry, DMPK principles, multi-parameter optimization.


• Prior experience working with integrated project teams (i.e. medicinal chemists, biologists and other functional areas) to develop methods and drive delivery of critical project milestones.


• You work hard, you are kind to others, you enjoy being in an environment where scientific data rules the day, and you enjoy being a part of a collaborative team that gets stuff done.


• This is an onsite position in the Boston area with considerable flexibility. Candidates in the Boston area are highly preferred and are encouraged to be onsite 3+ days per week.


• Local candidates only.