Associate Scientist, Post Doc Fellow - Computational Chemistry

Postdoctoral researcher position in computational chemistry at Merck's Boston laboratory focused on developing and applying free energy perturbation methods for drug discovery. The role involves designing molecular simulations, analyzing binding calculations, and contributing to methods development within an interdisciplinary computational chemistry team.

Responsibilities

• Design, execute, and analyze free energy calculations for protein-ligand binding systems
• Develop analysis methods to extract mechanistic insights from simulation results
• Interpret computational findings in context of experimental data and structure-activity relationships
• Contribute to methods development and implementation of novel computational approaches
• Present research findings at internal meetings, conferences, and through scientific publications

Requirements

• PhD in chemistry, biochemistry, biophysics, or equivalent with computational focus
• Expert-level experience with molecular dynamics simulation packages (NAMD, AMBER, GROMACS)
• Proficiency in Python programming and data analysis workflows
• Strong foundation in statistical mechanics, thermodynamics, and molecular interactions
• Demonstrated publication record in computational chemistry or related fields
• Ability to work independently and collaboratively in research settings

Compensation: $82,000-$92,000 base