Antares Therapeutics

Antares Therapeutics

Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design

Boston, MA · Principal

Sponsorship not specified$185k-$240kDetected 2 days ago
PythonMachine LearningLeadershipCommunication

About the role

  • This is a hands-on, high-impact role on the Antares scientific track.
  • The role is offered at the Principal or Senior Principal Scientist level; scope, independence, and organizational influence scale with experience, as described under Qualifications.
  • The anticipated annual salary range for this position is $185,000-$240,000 annually.

Responsibilities

  • Serve as the computational chemistry function lead on programs, providing integrated leadership across target validation, hit identification, hit-to-lead, and lead optimization for multiple small-molecule programs.
  • Apply structure-based and ligand-based design, molecular dynamics, and free energy perturbation (FEP) to prioritize compounds, evaluate druggability, and identify and exploit cryptic or novel binding pockets on challenging targets.
  • Partner closely with medicinal chemistry to translate computational hypotheses into synthesized, tested molecules, and to drive sound decision-making and smart risk-taking.
  • Lead computational infrastructure and platform development - identifying, evaluating, and deploying best-in-class tools, methods, and workflows - and contribute to major collaborations with external partners, in coordination with the Discovery Predictive Sciences team.
  • help set design strategy and define the questions that computation should answer at each stage.
  • Represent computational chemistry in cross-functional program teams; help set design strategy and define the questions that computation should answer at each stage.

Requirements

  • Principal Scientist: PhD with 10+ years (or bachelor's with 16+ years) of computational chemistry experience in a pharmaceutical and/or biotechnology setting.
  • Senior Principal Scientist: PhD with 12+ years (or bachelor's with 18+ years), with a demonstrated track record of independent scientific leadership, cross-functional influence, and organizational impact.
  • Proficiency with the Schrödinger suite and/or comparable platforms (e.g., MOE, OpenEye), and programming/scripting in Python and with coding assistants like Claude Code/Codex for cheminformatics and data analysis.
  • Strong understanding of medicinal chemistry, structural biology, and DMPK principles, and a proven ability to collaborate effectively in a fast-paced, matrixed, team-based environment.
  • Excellent written and verbal communication skills, with the ability to convey complex computational concepts to multidisciplinary audiences.
  • PhD with 10+ years (or bachelor's with 16+ years) of computational chemistry experience in a pharmaceutical and/or biotechnology setting.
  • PhD. in computational chemistry, biophysics, theoretical chemistry, pharmaceutical sciences, cheminformatics, or a related quantitative field (or equivalent experience).
  • Principal Scientist: PhD with 10+ years (or bachelor's with 16+ years) of computational chemistry experience in a pharmaceutical and/or biotechnology setting. Senior Principal Scientist: PhD with 12+ years (or bachelor's with 18+ years), with a demonstrated track record of independent scientific leadership, cross-functional influence, and organizational impact.
  • Deep, hands-on expertise across modern computational methods: structure- and ligand-based design, molecular dynamics, and free energy methods (e.g., FEP).
  • Experience applying machine-learning and/or generative molecular design methods in a discovery setting is strongly preferred.
  • Experience in covalent drug discovery - including covalent docking, warhead selection and reactivity/selectivity assessment, and modeling of covalent kinetics (e.g., kinact/Ki) - is strongly preferred and is central to Antares' programs.
  • A passionate, results-oriented drug hunter who thrives in a collaborative, data-driven, and scientifically ambitious culture.
  • The anticipated annual salary range for this position is $185,000-$240,000 annually. The actual salary offered will be based on a number of factors, including but not limited to the qualifications of the applicant, years of relevant experience, level of education attained, certifications or other professional licenses held, and if applicable, the location in which the applicant lives and/or from which they will be performing the job.

Nice to have

  • Demonstrated, direct contributions to drug discovery programs through the application of computational chemistry - ideally including progression of compounds into or toward the clinic.

Compensation

  • The anticipated annual salary range for this position is $185,000-$240,000 annually.

Benefits

  • Integrate machine-learning, generative, and active-learning approaches into design-make-test-analyze cycles, and multiparameter optimization of potency, selectivity, and ADMET/physicochemical.
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This listing is sourced directly from Antares Therapeutics's careers page and normalized into a canonical job model.