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Computational Drug Design Jobs in Colorado (NOW HIRING)

micro1 AI

Bioinformatics Software Engineer

Centennial, CO · Remote

$80 - $110/hr

... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...

micro1 AI

Bioinformatics Software Engineer

Arvada, CO · Remote

$80 - $110/hr

... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...

micro1 AI

Cheminformatics Specialist - Remote

Longmont, CO · Remote

$80 - $110/hr

... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...

micro1 AI

Cheminformatics Specialist - Remote

Lakewood, CO · Remote

$80 - $110/hr

... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...

micro1 AI

Cheminformatics Specialist - Remote

Greeley, CO · Remote

$80 - $110/hr

... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...

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Computational Drug Design information

What are the key skills and qualifications needed to thrive as a computational drug design scientist?

To thrive as a Computational Drug Design scientist, you need a strong background in chemistry, biology, and computer science, typically supported by an advanced degree (e.g., PhD) in a related field. Proficiency with molecular modeling software, cheminformatics tools, and programming languages such as Python or R is essential, along with familiarity with databases like PDB and software such as Schrödinger or MOE. Strong analytical thinking, problem-solving abilities, and effective communication skills help translate computational findings into actionable insights for multidisciplinary teams. These competencies are crucial for efficiently identifying promising drug candidates and supporting data-driven decision-making in pharmaceutical research.

What is computational drug design?

Computational drug design is the use of computer-based methods and simulations to discover, develop, and optimize new pharmaceutical compounds. This field combines chemistry, biology, and computer science to model how potential drug molecules interact with biological targets, such as proteins or enzymes. Techniques like molecular docking, virtual screening, and molecular dynamics are commonly used to predict the efficacy and safety of new drugs before laboratory testing. By leveraging computational tools, researchers can significantly speed up the drug discovery process and reduce costs.

What is the difference between Computational Drug Design vs Medicinal Chemist?

AspectComputational Drug DesignMedicinal Chemist
Required CredentialsDegree in Chemistry, Bioinformatics, or related field; strong computational skillsDegree in Chemistry, Organic Chemistry, or related field; laboratory experience
Work EnvironmentResearch labs, pharmaceutical companies, biotech firms; primarily computer-basedLaboratories, pharmaceutical companies; hands-on chemical synthesis and analysis
Industry UsageDrug discovery, virtual screening, molecular modeling

Computational Drug Design focuses on using computer simulations and modeling to identify potential drug candidates, while Medicinal Chemists are involved in synthesizing and testing chemical compounds in the lab. Both roles are essential in the drug development process but differ in their methods and work environments.

What are some common challenges faced in a computational drug design role, and how can they be addressed?

Professionals in Computational Drug Design often encounter challenges such as managing large and complex datasets, integrating diverse software tools, and ensuring accurate modeling of biological systems. Addressing these challenges typically involves continuous learning to stay updated with the latest algorithms and software, collaborating closely with experimental scientists, and developing strong data management practices. Effective communication and teamwork are also essential, as the role frequently involves working in multidisciplinary teams to translate computational findings into actionable experimental strategies.

What are popular job titles related to Computational Drug Design jobs in Colorado?

For Computational Drug Design jobs in Colorado, the most frequently searched job titles are:

What job categories do people searching Computational Drug Design jobs in Colorado look for?

The top searched job categories for Computational Drug Design jobs in Colorado are:

Computational Drug Design jobs near you
Infographic showing various Computational Drug Design job openings in Colorado as of August 2026, with employment types broken down into 1% Internship, 87% Full Time, 8% Part Time, and 4% Contract. Highlights an 84% Physical, 5% Hybrid, and 11% Remote job distribution.

Principal Scientist, Computational Chemistry

Cogent Biosciences

Boulder, CO

Full-time

Medical, Dental, Vision, Retirement, PTO

Re-posted 29 days ago

Job description

Who We Are:

Cogent Biosciences is a publicly traded biotechnology company focused on developing novel precision therapies to treat a broad range of patients with unmet medical needs. Cogent's lead program, bezuclastinib, is designed to selectively and potently inhibit exon 17 mutations found within the KIT receptor tyrosine kinase, including KIT D816V. KIT D816V is responsible for driving a rare and serious condition called Systemic Mastocytosis, and exon 17 mutations are also found in patients with gastrointestinal stromal tumors (GIST), a type of cancer with strong dependence on oncogenic KIT signaling. Bezuclastinib has exhibited promising initial data across all three trials: APEX in AdvSM, SUMMIT in NonAdvSM, and PEAK in GIST, including an encouraging safety profile across 600+ patients in single-agent and combination dosing. 

The Role: 

We are seeking an Experienced Computational Chemist who thrives at the intersection of molecular modeling, datadriven decision making, and innovative drug design. In this role, you will directly influence discovery programs by generating actionable structurebased insights, developing predictive models, and partnering with multidisciplinary teams to guide molecular design from hits to optimized leads. This is a full-time, on-site position based at our R&D facility in Boulder, Colorado.

Responsibilities:

  • Apply structurebased and ligandbased drug design methods-including docking, protein modeling, and a range of computational techniques-to support projects from hit discovery through lead optimization.
  • Collaborate with project team members, engaging them in iterative structurebased drug design cycles to generate hypotheses, evaluate targets, triage hits, and guide SAR exploration.
  • Present modeling insights clearly and effectively to crossfunctional project teams, ensuring data is interpreted in the right context.
  • Develop, refine, and maintain robust computational workflows on HPC Linux environments, enabling scalable execution of largescale simulations.
  • Train and mentor colleagues on computational chemistry tools, cheminformatics standards, data formats, and key workflow practices.

Qualifications:

  • Ph.D. in Computational Chemistry or a related field, with 3+ years of relevant industrial experience.
  • Expertise in structurebased design, docking, virtual screening, pharmacophore modeling, and other computational approaches for lead optimization.
  • Expertise in MOE modeling software, with working knowledge of other commercial and opensource computational chemistry platforms preferred.
  • Strong handson experience with cheminformatics platforms and tools, including Spotfire.
  • Strong programming skills with experience in building custom scripts or automated pipelines, is a plus.
  • Proficiency in Linux/UNIX, shell scripting, and HPC frameworks (e.g., SLURM, LSF, PBS/Torque).
  • Experience optimizing large computational workloads on cluster or cloud infrastructure.
  • Familiarity with molecular representations and cheminformatics standards (SMILES, SDF, descriptors, fragmentbased encodings).
  • A solid publication record and excellent scientific communication skills.
  • Proven effectiveness working within crossfunctional, datadriven scientific teams.

Salary Range:

$165k - 190k USD 

Target Bonus: 15%
Exact compensation will vary based on skills, experience, and location.
Our Locations

Waltham, MA: Our headquarters is located in the Greater Boston life sciences community, with an open, collaborative office environment designed to support teamwork and connection. Employees benefit from convenient on-site amenities, including free on-site parking and gym facilities in the building. 

Boulder, CO: Our Boulder location is home to Cogent's discovery research organization and a key scientific hub with strong leadership based on site. Situated in the greater Denver-Boulder biopharmaceutical corridor, this office plays a central role in advancing our discovery efforts and pipeline. 

Our Offer To You 

At Cogent Biosciences, we offer a competitive salary, bonus, and ongoing stock awards, alongside a benefits package that sets us apart. We cover 100% of medical, dental, and vision premiums for you and your family, and help reduce out-of-pocket costs by funding up to 75% of in-network deductibles. Our benefits also include a 401(k) match with immediate vesting, generous paid time off, 12 weeks of fully paid parental leave, paid family and medical leave for all employees regardless of location, and company-paid short-term disability coverage for up to 20 weeks. Additional perks like wellness programs, tuition reimbursement, and inclusive family-forming support help you thrive at work and beyond. 

We are proud to be an Equal Opportunity Employer. Our goal is to have a diverse workforce. We do not discriminate on the basis of race, age, color, religion, national origin, gender, sexual orientation, gender identity or expression, veteran status or disability, or any other status protected under federal, state, or local law. All employment is decided on the basis of qualifications, merit, and business need. 

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