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Computational Drug Design Jobs in Ohio (NOW HIRING)

PhD or Master's degree in Cheminformatics, Computational Chemistry, Chemistry, or a related discipline. * Expertise in structure-based drug design (SBDD), including docking, pharmacophore modeling ...

PhD or Master's degree in Cheminformatics, Computational Chemistry, Chemistry, or a related discipline. * Expertise in structure-based drug design (SBDD), including docking, pharmacophore modeling ...

... computational fluid dynamics, along with just-in-time feedback from the field. Position Details ... All employment offers are contingent upon successful drug tests, background checks, and ...

Bioinformaticist

Columbus, OH · On-site

$86K - $123K/yr

We conduct research and development, manage national laboratories, design and manufacture products ... drug or probiotic treatments. The candidate must be a US citizen and eligible to obtain and ...

Bioinformaticist

Columbus, OH · On-site

$86K - $123K/yr

We conduct research and development, manage national laboratories, design and manufacture products ... drug or probiotic treatments. The candidate must be a US citizen and eligible to obtain and ...

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Computational Drug Design information

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 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 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 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 cities in Ohio are hiring for Computational Drug Design jobs?

Cities in Ohio with the most Computational Drug Design job openings:

Infographic showing various Computational Drug Design job openings in Ohio as of August 2026, with employment types broken down into 87% Full Time, 8% Part Time, 1% Temporary, and 4% Contract. Highlights an 85% Physical, 4% Hybrid, and 11% Remote job distribution.

Assistant Professor in Artificial Intelligence for Drug Discovery and Chemical Biology

Ohio State University

Columbus, OH • On-site

$90 - $130/hr

Other

Medical, Dental, Vision, Retirement, PTO

Posted 3 days ago

New


Job description

Job Title: Assistant Professor in Artificial Intelligence for Drug Discovery and Chemical Biology

Department: Pharmacy | Medicinal Chemistry

The Division of Medicinal Chemistry and Pharmacognosy in the College of Pharmacy at The Ohio State University invites applications for a tenure-track faculty position at the Assistant Professor level. This position is part of Ohio State’s university-wide AI (X) Hub, a multidisciplinary initiative that brings together researchers across 15 colleges to advance artificial intelligence for the public good. The AI (X) Hub is expanding the university’s research community through the recruitment of 100 AI-focused faculty members and is organized around six strategic pillars, including AI for Health. We seek an innovative scientist who will establish an independent, externally funded research program that harnesses artificial intelligence to advance drug discovery and therapeutic development. The successful candidate will apply approaches such as machine learning, deep learning, generative modeling, and other emerging computational methods to address fundamental and translational challenges in the pharmaceutical sciences.

We welcome applicants whose research focuses on one or more of the following areas:

  • Small-molecule drug discovery: AI-enabled molecular design and optimization, virtual screening, and prediction of efficacy, toxicity, ADME, pharmacokinetic, and pharmacodynamic properties.
  • Protein and peptide design: Computational approaches to de novo design, structure and function prediction, and optimization of therapeutic proteins and peptides.
  • Chemical biology: AI-enabled design and application of chemical probes to interrogate biological systems, elucidate mechanisms of action, validate therapeutic targets, and advance drug discovery.
  • Biosynthetic engineering: AI-enabled design, optimization, and engineering of biosynthetic pathways, enzymes, and microbial or cellular systems for the discovery and production of natural products, biopharmaceuticals, and other therapeutic molecules.
  • Candidates whose research bridges these areas or introduces complementary and emerging applications of AI in drug discovery and chemical biology are strongly encouraged to apply.

Collaborative Environment:

The successful candidate will join a highly collaborative environment within the Division of Medicinal Chemistry and Pharmacognosy and the broader College of Pharmacy. As a member of the AI (X) Hub, the faculty member will have opportunities to work with AI researchers, medicinal chemists, structural biologists, pharmaceutical scientists, biomedical investigators, clinicians, and industry partners across Ohio State. The position will contribute to the AI (X) Hub’s AI for Health mission by developing innovative, responsible, and translational AI approaches that accelerate therapeutic discovery and improve human health.

Key Facilities and Core Services

The successful candidate will have access to advanced drug discovery infrastructure and expertise through the Drug Discovery Shared Resource, or DDSR, and its medicinal chemistry and high-throughput screening capabilities within The Ohio State University Comprehensive Cancer Center - James Cancer Hospital and Solove Research Institute, or OSUCCC - James. The DDSR integrates expertise in medicinal and synthetic chemistry, chemical biology, instrumental analysis, molecular pharmacology, and high-throughput and high-content screening. Its services support the design and synthesis of biologically active molecules, compound screening, hit identification, lead optimization, analytical characterization, and the development of chemical probes and therapeutic candidates. Together, these resources provide a strong experimental foundation for translating AI-generated hypotheses, molecular designs, and predictive models into testable chemical and biological discoveries. The successful candidate will be well positioned to develop integrated computational-experimental programs and pursue collaborative research across the College of Pharmacy, the AI (X) Hub, and the OSUCCC - James.

Performance Objectives
  • Establish a nationally recognized, independent, and externally funded research program at the intersection of artificial intelligence, drug discovery, and chemical biology.
  • Develop and apply innovative AI and computational methodologies that address significant fundamental or translational challenges in therapeutic discovery.
  • Build interdisciplinary collaborations within the Division of Medicinal Chemistry and Pharmacognosy, the College of Pharmacy, the AI (X) Hub, the OSUCCC - James, and the broader Ohio State research community.
  • Contribute to undergraduate, graduate, and professional education through effective teaching in medicinal chemistry, chemical biology, computational drug discovery, artificial intelligence, or related areas.
Education and Experience Requirements
  • A Ph.D. or equivalent doctoral degree in chemistry, chemical biology, biochemistry, biophysics, structural biology, or a closely related field.
  • A strong record of fundamental or applied research at the intersection of artificial intelligence and drug discovery, demonstrated through impactful publications, promise or success in securing extramural funding, and professional recognition.
  • Demonstrated creativity and originality, with the potential to establish new concepts, methodologies, frameworks, or applications in AI-enabled drug discovery.
  • Evidence of the potential to develop an independent, collaborative, and externally funded research program.
  • A commitment to excellence in teaching, mentorship, and service.
Additional Information

Ohio State provides access to a depth and breadth of opportunities and resources. Starting your first day, Ohio State offers you a comprehensive benefits package.

Location: Parks Hall (0273)
Position Type: Regular
Scheduled Hours: 40
Shift: First Shift

Division Information

Faculty of the Division of Medicinal Chemistry and Pharmacognosy have diverse research interests in drug discovery and development. Division members pursue interdisciplinary research involving medicinal chemistry, synthetic organic chemistry, analytical chemistry, natural products chemistry, chemical biology, biochemistry and computer-aided molecular design.

Current research in the division includes:

  • The identification of natural products with anticancer, anti-infective, and other biological activities.
  • The discovery of synthetic anticancer, antifungal, antibacterial, neuroprotective, and antiparasitic drugs.
  • The use of medicinal chemistry approaches to optimize therapeutic candidates and identify potent and efficacious lead compounds.
  • The use of chemical biology approaches to create synthetic molecular probes and identify biological targets of small molecules.
  • The identification of hit compounds against cancer and infectious diseases using rational design and screening approaches.
  • The elucidation of novel microbial biosynthetic pathways and secondary metabolites.
Benefits

Ohio State benefits give you options to take care of what matters most to you — and opportunities to make adjustments as your life and needs change, including:

  • Medical, dental and vision coverage, with Ohio State paying a significant portion of the cost.
  • Paid time off, including sick and vacation time and 11 holidays.
  • State retirement plan or an alternative retirement plan, both with generous employer contributions.

The Ohio State University believes in diversity in people and ideas. The university’s AI for Health initiative is designed to connect advances in AI with biomedical research, clinical needs, and real-world health applications. The university is an equal opportunity employer, including veterans and disability. Final candidates are subject to successful completion of a background check. Additionally, there may be further requirements specific to the college or unit, which could include drug and health screenings, as well as faculty misconduct checks depending on the rank of the position. Final candidates are subject to successful completion of a background check. A drug screen or physical may be required during the post-offer process.

Application closes 10/15/2026

University and College information: The College Established in 1885, The Ohio State University College of Pharmacy is a global leader in pharmaceutical education, research and clinical practice. As part of one of the most comprehensive health sciences campuses in the nation, the college is home to world-class faculty, dedicated researchers and top-notch students who are leading the way in patient care outcomes, drug discovery and translational pharmacology. The college has received nearly $60 million in research awards over the past five years. Additionally, we are the only school of pharmacy in the nation to have twice received the American Association of Colleges of Pharmacy (AACP) 2023 Lawrence C. Weaver Transformative Community Service Award for our dedication to addressing unmet needs through education, practice and research. We are consistently ranked as a top ten school in the nation and are currently ranked fourth by U.S. News and World Report. Learn more at pharmacy.osu.edu.

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