Postdoc – Drug Discovery Development and Application Scientist

Postdoc – Drug Discovery Development and Application Scientist

Position: Postdoctoral-level Drug Discovery Application Scientist at the Laboratory for Biomolecular Simulation Research and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey. The role supports a NIH‑funded project developing a next‑generation simulation package for drug discovery.

Responsibilities

• Explore drug‑discovery problems using the PI’s SAMTI approach.
• Collaborate with academic and industrial users to perform simulations for drug‑discovery projects.
• Create and maintain software requirement documents for the next‑generation simulation package.
• Actively monitor the AMBER user forum, providing timely responses and support per PI guidance.
• Conduct beta tests, meticulously documenting test records and reports for new features.
• Maintain a centralized information‑sharing website for all tasks.

Required Knowledge, Skills, and Abilities

• Deep 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 independently perform MD and free‑energy simulations.
• Familiarity with or willingness to learn CI/CD, documentation, and other aspects of GitLab.
• PhD in computational chemistry or closely related field; solid publication track record.

Preferred Qualifications

• Experience with AMBER, OpenMM, and GROMACS simulation packages.
• Relevant molecular simulation analysis tools, Python programming, and GitLab environment.

Physical Demands and Work Environment

• Primarily office‑based with a computer workstation and laptop; participates in both physical and virtual team meetings.
• Optional periodic workshops and conferences requiring domestic or international travel.
• Remote work possible with regular in‑person reporting to the PI, by mutual agreement.

Benefits

• 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.

Equal Employment Opportunity Statement

It is university policy to provide equal employment opportunity to all its employees and applicants for employment regardless of their race, creed, color, national origin, age, ancestry, nationality, marital or domestic partnership or civil union status, sex, pregnancy, gender identity or expression, disability status, liability for military service, protected veteran status, affectional or sexual orientation, atypical cellular or blood trait, genetic information (including the refusal to submit to genetic testing), or any other category protected by law. As an institution, we encourage all qualified applicants to apply. For additional information please see the Non‑Discrimination Statement at the following web address:

Pre‑employment Requirements

All offers of employment are contingent upon successful completion of all pre‑employment screenings, including immunization requirements in accordance with Policy 100.3.1. Employees commencing during Flu Season may be required to provide proof of seasonal influenza vaccination unless granted an exemption.