Postdoc, Computational Chemistry — Free-Energy Methods

MSD; Boston (MA); On-site; GBP 62,000 - 70,000; Full time

Benefits offered by this job

Medical

Dental

Vision care

401(k)

Paid holidays

Vacation

Sick days

Job summary

MSD in Boston, MA seeks an Associate Scientist, Postdoctoral Fellow in Computational Chemistry to advance physics-based simulations and free energy perturbation methods. You will design, execute and interpret MD and FEP studies, and contribute to method development within the Modeling & Informatics team.

We value a PhD with strong MD experience, proficiency in Python, and a track record of publications. Collaboration across groups and exposure to HPC will be expected in this fast-paced drug

Qualifications

• PhD in chemistry/biochemistry/biophysics with computational emphasis.
• Strong background in molecular dynamics and MD packages (NAMD/AMBER/GROMACS).
• Proficiency in programming/scripting, preferably Python, and data analysis workflows.

Responsibilities

• Design, execute, and analyze free energy calculations for protein–ligand systems.
• Develop methods and contribute to internal workflows in M&I.
• Present findings in meetings, conferences, and publications.

Skills

Molecular dynamics

Python scripting

Data analysis

Written communication

Education

PhD in chemistry/biophysics/computational chemistry

Tools

NAMD

AMBER

GROMACS

Job description

MSD in Boston, MA seeks an Associate Scientist, Postdoctoral Fellow in Computational Chemistry to advance physics-based simulations and free energy perturbation methods. You will design, execute and interpret MD and FEP studies, and contribute to method development within the Modeling & Informatics team.

We value a PhD with strong MD experience, proficiency in Python, and a track record of publications. Collaboration across groups and exposure to HPC will be expected in this fast-paced drug