Job Description
Associate Scientist, Postdoctoral Fellow – Computational ChemistryWe are seeking a highly motivated postdoctoral researcher with expertise in physics-based simulation and free energy perturbation (FEP) calculations to join our Modeling & Informatics (M&I) department in Boston, MA, USA. Our M&I team is a inclusive group of approximately 50 computational chemists, cheminformaticians, data scientists, and machine learning specialists who employ state-of-the-art capabilities to drive drug design. Join us to research innovative free energy methods to aid the discovery of better molecules.
Responsibilities
- Design, execute, and analyze free energy calculations of protein-ligand binding and biomolecular systems
- Investigate analysis methods for maximal information extraction from free energy calculations, including the atomic drivers of affinity
- Interpret simulation results in the context of experimental data and structure-activity relationships
- Participate in methods development, investigate and implement novel computational methods, and contribute to internal workflows for M&I
- Present scientific findings via internal meetings, external conferences, and scientific publications
Qualifications
- Must currently hold a PhD OR
- Receive a Ph.D. no later than spring 2027
- Ph.D. in chemistry, biochemistry, biophysics, or equivalent with a computational emphasis
Required Experience and Skills
- Strong expertise in molecular dynamics or related atomistic simulation methods, including experience with one or more simulation packages such as NAMD, AMBER, GROMACS
- Proficiency in programming/scripting, preferably Python, and familiarity with data analysis workflows
- Solid understanding of statistical mechanics, thermodynamics, and molecular interactions
- Demonstrated ability to work independently and collaboratively in a research environment
- Strong oral and written communication skills, with a proven publication record in computational chemistry or related journals
Preferred Experience and Skills
- Experience with enhanced sampling methods, free energy calculations, or alchemical approaches
- Familiarity with protein-ligand binding, protein dynamics, membrane systems, or nucleic acid simulations
- Exposure to high-performance computing environments and parallel computing
- Experience with automated simulation pipelines or workflow orchestration
As a postdoctoral fellow at our research laboratories, you will be exposed to a fast-paced, interdisciplinary drug discovery environment with opportunities to learn about the pharmaceutical industry and the impact of computational chemistry. You will have access to High Performance Computing and modern computational chemistry software packages. We are looking for a self-driven individual with a desire to research cutting-edge simulation methods to impact drug discovery.
postdoctoralopportunities
The salary range for this role is: $82,000-$92,000
This is the lowest to highest salary we in good faith believe we would pay for this role at the time of this posting. An employees position within the salary range will be based on several factors including, but not limited to relevant education, qualifications, certifications, experience, skills, geographic location, government requirements, and business or organizational needs.
The successful candidate will be eligible for annual bonus and long-term incentive, if applicable.
We offer a comprehensive package of benefits.Available benefits include medical, dental, vision healthcare and other insurance benefits (for employee and family), retirement benefits, including 401(k), paid holidays, vacation, and compassionate and sick days.
Required Skills:
Chemistry, Computational Chemistry, Computational Methods, Data Science, Drug Design, Drug Discovery Research, Molecular Biophysics, Molecular Dynamics (MD), Molecular Modeling, Statistical Mechanics
Preferred Skills:
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Current Contingent Workers apply HERE
Employee Status:
Regular
Relocation:
Domestic
VISA Sponsorship:
Yes
Travel Requirements:
10%
Flexible Work Arrangements:
Not Applicable
Shift:
Not Indicated
Valid Driving License:
No
Hazardous Material(s):
N/A
Job Posting End Date:
10/26/2026
*A job posting is effective until 11:59:59PM on the day BEFOREthe listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.
