Postdoctoral Research Associate in Gorgulla Lab

Job Description

Location:

Memphis, TN

Category:
Postdoc

Department:
Structural Biology

Shift: Weekday Day

Position Type:
Full Time

Scheduled Weekly

Hours:

40

JR5861

A postdoctoral research associate position is available with Dr. Christoph Gorgulla. This project aims to advance computational drug discovery by developing and applying innovative deep learning-based methods to identify novel small-molecule therapeutics. By combining machine learning with quantum chemistry and structure-based approaches, the project will accelerate the translation of computational predictions into experimentally validated drug leads. The work targets challenging biological systems such as Parkinson’s disease.

• Design and execute computational screening campaigns to identify and prioritize candidate small molecules for experimental validation, with a focus on developing generalizable workflows and tools.
• Develop or refine methodologies that improve hit identification, pose prediction, or scoring accuracy, and apply them in drug discovery projects.
• Collaborate closely with other scientists within the lab and with external academic or industrial partners to translate computational predictions into testable hypotheses.
• Mentor graduate students or interns in computational techniques, reproducible workflows, and best practices in data-driven discovery.
• Contribute to manuscript preparation, grant proposals, and presentations, with opportunities to co-lead sections related to methods or results.
• Participate in professional development activities, including conference attendance, skill-building workshops, or cross-disciplinary training.

A Ph.D. in computational chemistry, structural biology, bioinformatics, computer science, pharmaceutical sciences, or a closely related field. Candidates with significant experience in molecular modeling, virtual screening, quantum chemistry, or machine learning for drug discovery are especially encouraged to apply.

• Very strong background and skills in deep learning and machine learning
• Machine learning frameworks, particularly Py Torch
• Experience in drug discovery or ability to adapt quickly to applied domains such as drug discovery
• Proficiency in programming or scripting (e.g., Python, Bash) for workflow automation and data analysis
• Ability to think critically about experimental data and translate findings into actionable research directions
• Excellent communication skills, both written and verbal, with the ability to present findings clearly to collaborators from diverse scientific backgrounds
• Self-motivated, organized, and able to contribute to a team-oriented environment

• Computational molecular modeling, computational biology, computational drug discovery, cheminformatics, and/or quantum chemistry
• CUDA, Tensor Flow
• Familiarity with common tools for structure-based molecular modeling or virtual screening
• Experience developing or benchmarking computational methods for drug discovery, scoring functions, predictive models or quantum chemistry
• Machine learning or AI frameworks applied to molecular discovery
• Familiarity with cloud or high-performance computing environments
• Experience collaborating with experimental scientists or participating in multidisciplinary projects
• Prior mentorship of students or involvement in team-based problem solving
• Interest in contributing to manuscripts, grant proposals, or open-source software

Our lab operates with a mentorship philosophy centered on trust, curiosity, and growth: trainees receive as much guidance and support as needed, while also being encouraged to explore ideas independently and build ownership over their work. We strive for a kind, collaborative, and intellectually generous team culture—one where people challenge bold scientific problems together while celebrating each other’s success. Above all, we are united by a shared drive to tackle high-impact challenges in computational science that have the potential to transform human health.

St. Jude Children’s Research Hospital is a world-class research institution dedicated to pediatric…