Postdoc: Computational Chemistry & Free-Energy MD

MSD; Boston (MA); On-site; USD 82,000 - 92,000; Full time

Benefits offered by this job

Medical, dental, vision benefits

401(k) retirement plan

Paid holidays

Job summary

Merck & Co., Inc. in Boston, MA, seeks an Associate Scientist, Postdoctoral Fellow in Computational Chemistry to advance physics-based simulations and free energy perturbation methods for drug design.

You will design and execute FEP studies, analyze results, and contribute to internal workflows in M&I. The role emphasizes independent research, collaboration with computational chemists, and presenting findings at meetings and conferences.

Qualifications

• Must currently hold a PhD OR receive by spring 2027 in a computational field.
• PhD with computational emphasis in chemistry/biophysics/biochemistry.

Responsibilities

• Design, execute, and analyze free energy calculations for protein-ligand systems.
• Develop methods and analyze data to extract insights from simulations.
• Interpret results in the context of experimental data and SAR.

Skills

Molecular Dynamics

Python

Statistical Mechanics

Independent Research

Communication Skills

Education

PhD in chemistry/biophysics/biochemistry or equivalent

Tools

NAMD

AMBER

GROMACS

Job description

Merck & Co., Inc. in Boston, MA, seeks an Associate Scientist, Postdoctoral Fellow in Computational Chemistry to advance physics-based simulations and free energy perturbation methods for drug design.

You will design and execute FEP studies, analyze results, and contribute to internal workflows in M&I. The role emphasizes independent research, collaboration with computational chemists, and presenting findings at meetings and conferences.