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Molecular Docking Jobs in Wisconsin (NOW HIRING)

The successful candidate will have opportunities to pursue projects spanning AI model development, protein-ligand modeling, molecular docking and binding-affinity prediction, and large-scale virtual ...

... docking and binding-affinity prediction methods, and AI-accelerated virtual-screening platforms to ... Perform molecular modeling and AI-accelerated virtual screening. * Analyze computational results ...

Molecular Docking information

What is molecular docking?

A molecular docking job involves using computational techniques to predict the interaction between molecules, such as a drug candidate and a target protein. Researchers in this field use specialized software to model binding affinities, optimize molecular structures, and analyze potential therapeutic effects. This role is often found in pharmaceutical research, bioinformatics, and drug discovery, requiring expertise in molecular modeling, chemistry, and computational biology.

What does a typical day look like for someone working in molecular docking?

A typical day in Molecular Docking often involves running computational simulations to predict how small molecules interact with biological targets, analyzing and interpreting the resulting data, and preparing reports or presentations for research teams. You may also spend time troubleshooting software issues, developing scripts to automate workflows, and staying up to date with the latest scientific literature. Collaboration is common, as you’ll likely work closely with medicinal chemists, structural biologists, and other computational scientists to refine hypotheses and guide experimental design. This multifaceted environment provides opportunities to continually learn and apply new techniques, making the day-to-day work both intellectually stimulating and impactful.

What are the key skills and qualifications needed to thrive in molecular docking?

To thrive in a Molecular Docking role, you need strong expertise in computational chemistry, structural biology, and molecular modeling, often supported by an advanced degree in a related field. Familiarity with molecular docking software (such as AutoDock or Schrödinger Suite), programming languages (like Python or R), and experience with high-performance computing are typically required. Attention to detail, analytical thinking, and effective communication are valuable soft skills for collaborating and presenting complex findings. These capabilities are essential for accurately predicting molecular interactions, driving scientific discovery, and contributing to successful multidisciplinary projects.

Is molecular docking difficult?

Molecular docking is a specialized task within computational chemistry and drug discovery that involves predicting how molecules interact. It requires knowledge of chemistry, biology, and proficiency with software tools, making it challenging for beginners but manageable with training and experience. Success depends on understanding molecular structures, algorithms, and data analysis techniques.

What cities in Wisconsin are hiring for Molecular Docking jobs?

Cities in Wisconsin with the most Molecular Docking job openings:

Infographic showing various Molecular Docking job openings in Wisconsin as of August 2026, with employment types broken down into 73% Full Time, and 27% Contract. Highlights an 74% In-person, and 26% Remote job distribution.

Post-Doctoral Fellow - GZhou Lab

wistar

Institute, WI

$47K - $63K/yr

Full-time

Posted 15 days ago


Job description

The Wistar Institute is recruiting a Post-Doctoral Fellow to work in the laboratory of Dr. Guangfeng Zhou as part of the Center for Advanced Therapeutics (CAT) at The Wistar Institute. The Zhou lab develops physics-based and AI-based computational methods to accelerate therapeutic discovery. His current program focuses on developing AI-based and physics-based computational approaches for drug discovery, including models that integrate physical and chemical principles, docking and binding-affinity prediction methods, and AI-accelerated virtual-screening platforms to identify and prioritize promising therapeutic leads.

We are seeking a highly motivated Post-Doctoral Fellow interested in developing and applying AI and physics-based computational methods for drug discovery. The successful candidate will have opportunities to pursue projects spanning AI model development, protein-ligand modeling, molecular docking and binding-affinity prediction, and large-scale virtual screening. The candidate will also have opportunities to work closely with experimental collaborators to apply newly developed computational methods to challenging therapeutic targets and experimentally validate computational predictions.

Candidates should be nearing completion of or already have a PhD in computational chemistry, biophysics, computer science, or a related field. Candidates should have a strong computational background and at least one first-author peer-reviewed publication. Experience in one or more of the following areas is desirable: machine learning/deep learning, molecular modeling, molecular dynamics, protein structure modeling, cheminformatics, or computational drug discovery. We particularly value candidates who are creative, self-motivated, and interested in developing new computational methods, while working collaboratively with computational and experimental researchers.

In addition to the online application, interested individuals should submit the following as a single PDF to Dr. Guangfeng Zhou (gzhou@wistar.org): (1) CV; (2) one-page cover letter detailing scientific interest in the lab, potential interest areas for research projects, and career aspirations; and (3) contact information for three references.  

We offer a competitive salary and an excellent benefits package.

The Wistar Institute is in Philadelphia, in the heart of the University of Pennsylvania campus. Wistar provides resources for cutting-edge collaborative research and provides for outstanding intellectual environments and state-of-the-art facilities. The Wistar Institute is a world leader in early-stage discovery science in the areas of cancer, immunology, and infectious disease. Wistar is committed to accelerating research advances from bench to bedside through brilliant science and distinctive approaches to collaboration among scientific investigators and academic and industry partners. Wistar’s dynamic environment supports the advancement of discoveries that will change the future of human health.

For more information about The Wistar Institute visit our website at www.wistar.org.