Rockefeller Higher Education Jobs

Job Information

Rockefeller University Research Assistant | Laboratory of Computational Molecular Discovery in New York, New York

Organization Overview

The Laboratory of Computational Molecular Discovery is particularly interested in molecular docking, a structure-based virtual screening method that can be used to evaluate virtual libraries of great size and diversity, followed by selection of the best-fitting molecules for synthesis and testing. With the recent availability of “make-on-demand” virtual libraries containing billions of molecules, there is a vast potential for ligand discovery. The lab is working on innovative approaches to leverage this expansive chemical space for structure-based drug design and to gain a deeper understanding of how structure and chemical space expansion can be utilized to create chemical tools for studying biology.


The Laboratory of Computational Molecular Discovery aims to understand the molecular interactions between small molecules and their biological targets, and to use this knowledge to create software for discovering novel ligands that can shed light on biological processes and aid in the evaluation of potential therapeutic targets. The research group is seeking applicants for the position of a full-time Research Assistant (RA) with a passion for scientific research.


  • Modify and develop program written in Fortran and Python

  • Molecule docking

  • Structural modeling

  • Maintain the lab Github


Applicants should have a bachelor's degree in chemistry, computer science, engineering, biology, physics, or a related field, and be familiar with coding.

Rockefeller University does not discriminate in employment on the basis of race, color, religion, sex (including pregnancy, gender identity), national origin, political affiliation, sexual orientation, marital status, disability, genetic information, age, membership in an employee organization, retaliation, parental status, military service or other non-merit factor. All qualified applicants will receive consideration for employment without regard to the characteristics listed above.

Compensation Range: Min

USD $46,000.00/Yr.

Compensation Range: Max

USD $50,000.00/Yr.

Job Locations US-NY-New York

Category Science

Position Type Regular Full-Time