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Computational Drug Design Jobs (NOW HIRING)

Pfizer

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ... We are seeking a Senior Computational Chemist with a strong cheminformatics background and a proven ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and ... Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) * Experience working with ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and ... Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) * Experience working with ...

1910

Computational Theoretical Chemist II

Boston, MA · On-site

Own computational chemistry programs across therapeutic modalities, disease targets, and ... Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) * Experience working with ...

1910

Computational Theoretical Chemist I

Boston, MA

Own computational theoretical chemistry programs across therapeutic modalities, disease targets ... Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) * Experience working with ...

1910

Computational Theoretical Chemist I

Boston, MA · On-site

Own computational theoretical chemistry programs across therapeutic modalities, disease targets ... Drug Design Development Packages (e.g., EG, Schrodinger, MOE, CRESSET) * Experience working with ...

University of Arizona

Scientific Analyst II

Tucson, AZ · On-site

... computational science, animal models of neurodegenerative disease, drug design and synthesis, FDA regulatory and toxicology requirements and clinical trial design and conduct. This position is funded ...

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Computational Drug Design information

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$40

$54

$74

How much do computational drug design jobs pay per hour?

As of Jun 30, 2026, the average hourly pay for computational drug design in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a Computational Drug Design scientist, and why are they important?

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.
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Computational Drug Design jobs near you
Infographic showing various Computational Drug Design job openings in the United States as of June 2026, with employment types broken down into 83% Full Time, 5% Part Time, 5% Temporary, and 7% Contract. Highlights an 93% In-person, 2% Hybrid, and 5% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.