Postdoc – Drug Discovery Development and Application Scientist

Postdoc – Drug Discovery Development and Application Scientist

The Laboratory for Biomolecular Simulation Research and Institute for Quantitative Biomedicine at Rutgers, the State University of New Jersey, is in search of a postdoctoral-level drug discovery application scientist. Our current endeavor involves an exciting NIH-funded project aimed at developing a state-of-the-art next-generation simulation package. We are actively seeking a skilled and enthusiastic researcher to join our team. As part of this opportunity, you will be able to:

• Contribute cutting-edge research in biomolecular simulations, gaining valuable practical experience and expanding your expertise in this field.
• Establish connections within the dynamic simulation community, fostering strong networks with other academic and industrial researchers, especially those involved in molecular simulation-based computer-aided drug discovery.

This position is ideally suited for individuals with career aspirations as application scientists within the drug-discovery field.

Position Status
- Full Time

Posting Number - 26FA0457

Posting Open Date - 05/05/2026

Qualifications

Minimum Education and Experience
- Applicants must hold a PhD in computational chemistry or closely related fields, have a deep working knowledge of theoretical/computational chemistry, and a solid publication track record.

Required Knowledge, Skills, and Abilities
- Working knowledge of protein-ligand interactions, in silico drug design/optimization, MD simulation theories, and applications. Familiarity with at least one of the following simulation packages: AMBER, GROMACS, OpenMM, CHARMM, and the ability to independently perform MD and free energy simulations. Familiarity with or a willingness to learn CI/CD, documentation, and other aspects of Git Lab.

Equipment Utilized - AMBER, OpenMM, and GROMACS simulation packages, relevant molecular simulation analysis tools, Python programming language, and Git Lab environment.

Physical Demands and Work Environment
- Predominantly operates in an office environment using a computer workstation and laptop computer, participates in both physical and virtual team meetings, and periodically attends workshops and conferences that entail domestic or international travel. Remote work, with regularly scheduled in-person reporting to the PI, is possible through mutual agreement.

Overview
- The successful applicant is expected to perform the following:

• Explore drug-discovery problems with the PI's new SAMTI approach.
• Collaborate with academic and industrial users to perform simulations for drug-discovery projects and to create and maintain software requirement documents for our next-generation simulation package.
• Actively monitor the AMBER user forum email list regularly and provide timely responses and support to users on the forum, according to the Principal Investigator's (PI) guidance.
• Conduct beta tests and meticulously document test records/reports for newly implemented features in the AMBER and upcoming simulation packages.
• Maintain a centralized information-sharing website for all the above tasks.