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Computational Drug Design Jobs (NOW HIRING)

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 ...

Senior Computational Chemist

La Jolla, CA · On-site

$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 ...

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

You have experience with AI-driven drug discovery or computational drug design tools * You have experience managing CRO relationships for synthesis and biological testing * You have experience across ...

You have experience with AI-driven drug discovery or computational drug design tools * You have experience managing CRO relationships for synthesis and biological testing * You have experience across ...

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

CADD / Application Scientist

New York, NY · On-site

$164K - $259K/yr

You have significant experience in CADD, structure-based drug design, computational chemistry, medicinal chemistry collaboration, or related work in drug discovery. * You have experience supporting ...

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Computational Drug Design information

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$54

$74

How much do computational drug design jobs pay per hour?

As of Aug 16, 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?

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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What cities are hiring for Computational Drug Design jobs?

Cities with the most Computational Drug Design job openings:

What states have the most Computational Drug Design jobs?

States with the most job openings for Computational Drug Design jobs include:

Infographic showing various Computational Drug Design job openings in the United States as of August 2026, with employment types broken down into 1% Internship, 88% Full Time, 6% Part Time, and 5% Contract. Highlights an 84% Physical, 5% Hybrid, and 11% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.

Senior Computational Biologist - Target Discovery (Hybrid)

Menlo Ventures

Manhattan, NY • On-site

$166K - $220K/yr

Other

Posted 5 days ago


Job description

Your work will change lives. Including your own.

The Impact You’ll Make

As a computational biologist within Recursion’s early discovery team, you will be at the forefront of reimagining drug discovery from first principles. Your mission is to integrate Recursion’s massive datasets—phenomics, transcriptomics, genomics, proteomics—to nominate novel targets, validate disease biology, and define the precision oncology strategies to advance our most promising therapeutic targets into full-fledged drug discovery programs.

This is a highly collaborative role: you will partner with biologists, chemists, data scientists, platform and data engineers, and translational experts to develop and scale methods for target discovery and validation. You will also partner with computational scientists from across the organization to develop novel approaches to agentic target packages, early translational de‑risking, and mechanism of action identification. The ideal candidate has strong stakeholder management, technical communication skills, and 3+ years biotech or pharma experience in early drug discovery.

We are hiring for two roles on a new target ID team, one domain expert in immunology and inflammatory diseases and one in precision oncology (this role).

In this role, you will:

  • Drive Target Discovery: Evaluate the molecular evidence for target nomination and validation, leveraging Recursion’s platform to identify novel vulnerabilities in precision oncology disease biology
  • Pilot novel methods for target discovery, validation, and early patient population hypotheses to send programs into nomination cascades
  • Define internal criteria for target data packages and early patient population strategy
  • Connect your innovative analysis methods to platform and engineering teams so that we solve the current project and accelerate future ones
  • Collaborate cross‑functionally: Partner with biologists, medicinal chemists, translational, and portfolio leads to build compelling data packages that drive program milestones and internal investment decisions.
  • Present data analysis to decision makers and stakeholders in a clear and compelling way that drives toward getting medicines to patients.

The Team You’ll Join

Our group is a bold, agile, diverse collective of computational drug discovery scientists deeply focused on the singular goal of bringing new therapeutics into the clinic at an accelerated pace. Our expertise spans precision oncology, I&I (immunology and inflammation), and neuroscience and we focus on advancing novel, targeted therapies in these disease areas. We partner closely with other functions to design and execute impactful and decisional data analyses for new targets and drug programs and are responsible for data strategy across the portfolio. We prioritize career development, fluency at the intersection of biology and technology, and a strong network of technical feedback and support.

The Experience You’ll Need

  • PhD in a relevant field (computational biology, bioinformatics, systems biology, cancer biology, etc.) with a very strong computational focus and 3+ years of experience in biotech or pharma industry OR MS in a relevant field and 5+ years of experience in biotech or pharma industry solving fundamental problems in early drug discovery
  • Domain expertise in precision oncology and target id
  • Strong understanding of patient genetics and druggability of disease relevant pathways
  • Experience applying computational methods (including probabilistic, statistical, and/or machine learning techniques) to analyze and integrate complex biological and/or human clinical data in a high level programming language such as Python or R
  • Exceptional data visualization skills
  • Excellent cross‑functional communication skills, including an ability to explain complex scientific concepts to a variety of audiences using a combination of plots, documents, and presentations

Nice To Have:

  • Experience building a target discovery engine using public and proprietary datasets
  • Experience designing high‑throughput screens with CRISPR or small molecule perturbations to validate therapeutic hypotheses
  • Previous exposure to efficient drug program advancement from proof of concept to IND

Working Location & Compensation:

This is an office‑based, hybrid role in our Salt Lake City, UT or New York, NY offices. Employees are expected to work in the office at least 50% of the time.

At Recursion, we believe that every employee should be compensated fairly. Based on the skills, experience, and qualifications needed for this role, the estimated annual base salary range is:

  • New York City: $166,980 to $220,660
  • Salt Lake City: $151,800 to $200,600

In addition to base salary, this role is eligible for an annual bonus, equity compensation, and a comprehensive benefits package.

Recursion is an Equal Opportunity Employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, veteran status, or any other characteristic protected under applicable federal, state, local, or provincial human rights legislation.

Accommodations are available on request for candidates taking part in all aspects of the selection process.

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