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Computational Drug Design Jobs in Georgia (NOW HIRING)

Actox

Staff Scientist

Atlanta, GA · On-site

$90 - $130/hr

The successful candidate will apply a range of advanced computational approaches to design molecules and guide library development in support of multiple drug discovery programs. This is a full-time ...

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

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

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

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

What cities in Georgia are hiring for Computational Drug Design jobs?

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

Computational Drug Design jobs near you
Infographic showing various Computational Drug Design job openings in Georgia as of August 2026, with employment types broken down into 75% Full Time, 11% Part Time, and 14% Contract. Highlights an 91% In-person, and 9% Remote job distribution.

Staff Scientist

Actox

Atlanta, GA • On-site

$90 - $130/hr

Other

Posted 8 days ago

Job description

The Laboratory of Biochemical Pharmacology (LOBP), Emory University School of Medicine in Atlanta, Georgia, USA, directed by Dr. Raymond F. Schinazi, is a multidisciplinary research group with expertise in medicinal chemistry, virology, molecular biology, toxicology, pharmacology, immunology, structural biology, and computational biology. The Schinazi group focuses on the discovery and development of novel antiviral agents and has contributed to drug discovery for HIV, herpesviruses, hepatitis B and C, SARS-CoV-2, and emerging viruses including dengue, West Nile, yellow fever, EBV, chikungunya, norovirus, and enteroviruses. The group has more than 60 researchers and staff. Its well-established synthetic and medicinal chemistry group has its own 400 MHz NMR, UPLC/MS, preparative HPLC, automated purification systems, microwave synthesis reactor, and other modern equipment supporting compound design, multi-step synthesis, purification, and structural characterization.

LOBP is seeking a highly motivated Staff Scientist with expertise in computational chemistry and molecular modeling to join the group. The successful candidate will apply a range of advanced computational approaches to design molecules and guide library development in support of multiple drug discovery programs. This is a full-time staff position with annual renewal based on satisfactory research progress and availability of funding.

Responsibilities:

The Staff Scientist will apply a range of computational approaches — including but not limited to:

  • Structure-based drug design (SBDD), homology modeling, QSAR, and cheminformatics
  • Ligand/receptor docking, high-throughput virtual screening (HTVS), and pharmacophore modeling
  • Molecular dynamics (MD) simulations and quantum chemical methods
  • Diversity/similarity analysis and compound library design
  • Machine learning and artificial intelligence (ML/AI) methods for drug discovery
  • Collaborating with multidisciplinary teams and providing expertise in interpreting structural data related to drug targets and their endogenous ligands, agonists, or antagonists
  • Executing computational experiments and communicating results clearly to support ongoing discovery efforts
  • Developing novel computational methods to address key scientific questions in drug discovery
  • Initiating innovative research suitable for external funding and publication in peer-reviewed journals
  • Writing abstracts, manuscripts, and grant proposals
  • Maintaining a strong code of ethics and scientific integrity
Minimum Qualifications
  • Master's degree in computational chemistry, cheminformatics, bioinformatics, pharmaceutical sciences, or a closely related field.
  • Must have a work authorization, a green card or be a U.S. citizen.
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