Job Description

Director – Computational Chemistry:

Think Bioscience: We develop small-molecule drugs for historically challenging targets by using our synthetic biology platform to uncover novel mechanisms of biomolecular engagement (e.g., new functional pockets). Our team leverages expertise in synthetic biology, protein biophysics, applied enzymology, computational chemistry, and medicinal chemistry to advance small molecules with biochemical activities previously deemed difficult, if not impossible, to achieve. We are passionate about improving the lives of patients with innovative science. If you share our passion, let’s work together.

Job Description: We are seeking an experienced computational chemist to lead computational and structural modeling activities for small-molecule drug discovery. The successful applicant will establish computational workflows, partner closely with an interdisciplinary team of medicinal chemists, biologists, and biophysicists, and guide strategic decisions on hit discovery and lead optimization. They will help build the computational chemistry function as the company grows, including evaluating new technologies, managing collaborations, and mentoring junior scientists. This is an on-site position in Boulder, CO.

 
Responsibilities:

• Leverage diverse computational strategies to inform and prioritize small molecule designs to improve potency, selectivity, and ADME/Tox endpoints.
• Build and implement computational workflows for virtual screening, docking, free energy calculations, QSAR, molecular dynamics, and AI/ML-enabled design.
• Partner with medicinal chemistry, biophysics, and biology teams to guide SAR exploration, prioritize compounds, and interpret data.
• Manage internal and external computational resources. Identify and implement modeling capabilities via vendor, CRO, and consultant partnerships.
• Work on teams with diverse scientific backgrounds and foster a collaborative culture to conduct world-class science.

Qualifications:

• Ph.D. in computational chemistry, medicinal chemistry, structural biology, or related discipline, with 10+ years of experience in small-molecule drug discovery in biotech or pharma.
• Proven track record of advancing molecules from hit identification through lead optimization.
• Expertise in molecular modeling, docking, FEP, QSAR/ML methods, and MD, including standard software packages (e.g., Schrodinger, OpenEye, MOE, Rosetta).
• Skilled in scientific programming (e.g., Python, Pipeline Pilot), Linux, and data analytics (e.g., Spotfire).
• Familiarity with organic and synthetic chemistry concepts.
• Leadership experience (mentoring, building teams, and managing collaborations) and strong collaboration skills (verbal and written communication, organization, teamwork, and creativity).
• Adaptability and flexibility to work in a dynamic startup environment.

What We Offer:

• A collaborative environment for innovative science and a mission-driven company.
• Opportunity for technical expansion and professional growth.
• Ability to influence key decisions in a fast-growing startup.
• Competitive compensation and benefits package, including a salary range of $150,000 - $200,000 per year (title and salary commensurate with experience) and stock options.

Think Bioscience is an equal opportunity employer and committed to a diverse workplace. All applicants will be considered equally without regard to race, color, ethnicity, veteran status, religion, national origin, marital status, political affiliation, age, sex, sexual orientation, disability status, membership in an organization or any other non-merit factors.

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