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Molecular Dynamics Simulation Intern Jobs in Georgia

Actox

Staff Scientist

Atlanta, GA · On-site

$90 - $130/hr

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 ...

Mercer University

Research Scientist

Atlanta, GA · On-site

... molecular dynamics simulations. In addition, the postdoctoral Research Scientist will contribute to grant development, assist the PI in manuscript preparation, and support laboratory operations ...

Mercer University

Research Scientist

Atlanta, GA · On-site

... molecular dynamics simulations. In addition, the postdoctoral Research Scientist will contribute to grant development, assist the PI in manuscript preparation, and support laboratory operations ...

Mercer Medicine

Research Scientist

Atlanta, GA · On-site

$70 - $90/hr

... molecular dynamics simulations.In addition, the postdoctoral Research Scientist will contribute to grant development, assist the PI in manuscript preparation, and support laboratory operations ...

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Molecular Dynamics Simulation Intern information

What is a molecular dynamics simulation intern?

A Molecular Dynamics (MD) Simulation Intern assists in computational modeling of molecular systems to study their behavior over time. This typically involves using software like GROMACS, LAMMPS, or AMBER to run simulations, analyze results, and validate them against experimental data. Interns may work on optimizing simulation parameters, scripting automation workflows, or visualizing molecular interactions. The role is crucial in fields like drug discovery, material science, and biophysics, helping researchers understand molecular mechanisms at an atomic level.

What types of projects and responsibilities can I expect as a molecular dynamics simulation intern?

As a Molecular Dynamics Simulation Intern, you can expect to work on projects involving the setup, execution, and analysis of molecular simulations to study the behavior of biological or materials systems at the atomic level. Your daily tasks may include preparing input files, running simulation jobs, analyzing output data, and collaborating with researchers to refine computational models. You'll often work closely with experienced scientists and fellow interns, gaining hands-on experience with advanced simulation tools. This role offers valuable opportunities to develop technical expertise and contribute to ongoing research, which can open doors to future academic or industry positions in computational science.

What are the key skills and qualifications needed to thrive as a molecular dynamics simulation intern, and why are they important?

To thrive as a Molecular Dynamics Simulation Intern, you need a solid background in chemistry, physics, or related fields, along with knowledge of molecular modeling concepts. Familiarity with simulation software such as GROMACS, LAMMPS, or AMBER and basic programming skills in Python or C++ are often required. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills for interpreting results and collaborating with research teams. These competencies are crucial for performing accurate simulations, troubleshooting computational issues, and contributing meaningfully to scientific projects.

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The most popular types of Molecular Dynamics Simulation jobs in Georgia are:

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Molecular Dynamics Simulation Intern jobs near you

Staff Scientist

Actox

Atlanta, GA • On-site

$90 - $130/hr

Other

Posted 10 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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