Postdoc - Drug Discovery Development and Application Scientist

Position Details

Title: Postdoc - Drug Discovery Development and Application Scientist

Department: Quantitative Biomedicine Inst

Salary: $63,968 Minimum

Position Status: Full Time

Posting Number: 26FA0457

Posting Open Date: 05/05/2026

The Laboratory for Biomolecular Simulation Research and Institute for Quantitative Biomedicine at Rutgers, the State University of New Jersey, is looking for a postdoctoral-level drug discovery application scientist. This position is part of an NIH‑funded project developing a state‑of‑the‑art next‑generation simulation package. The ideal candidate will contribute cutting‑edge research in biomolecular simulations and network with the simulation community, especially those involved in molecular simulation‑based computer‑aided drug discovery.

• Explore drug‑discovery problems with the PI's new SAMTI approach (10.1021/acs.jpcb.
  5c05358).
• Collaborate with academic and industrial users to perform simulations for drug‑discovery projects and create and maintain software requirement documents for a next‑generation simulation package.
• Actively monitor the AMBER user forum email list and provide timely responses and support, according to PI guidance.
• Conduct beta tests and meticulously document test records/reports for newly implemented features in AMBER and upcoming packages.
• Maintain a centralized information‑sharing website for all the above tasks.

Minimum Education: PhD in computational chemistry or closely related fields.

Experience: Deep working knowledge of theoretical/computational chemistry and a solid publication track record.

• 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 ability to perform MD and free‑energy simulations independently.
• Familiarity with or willingness to learn CI/CD, documentation, and other aspects of Git Lab.

None specified.

AMBER, OpenMM, GROMACS simulation packages; relevant molecular simulation analysis tools;
Python programming language;
Git Lab environment.

• Predominantly office‑based, using a computer workstation and laptop.
• Participates in physical and virtual team meetings; periodically attends workshops and conferences with domestic or international travel.
• Remote work possible with regular in‑person reporting to the PI, if mutually agreed.

• Medical, prescription drug, and dental coverage
• Paid vacation, holidays, and various leave programs
• Competitive retirement benefits, including defined contribution plans and voluntary tax‑deferred savings options
• Employee and dependent educational benefits
• Life insurance coverage
• Employee discounts programs

For detailed information on benefits and eligibility, see (Use the "Apply for this Job" box below).-overview
.

All offers of employment are contingent upon successful completion of all pre‑employment screenings.

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