Alkermes, Inc.
Research Intern – Computer Aided Drug Design
Waltham, MA
Feb 22, 2025
Full-time
Full Job Description

The Structure-based Modeling group in Alkermes Inc in Waltham MA is seeking an outstanding graduate student to team for a 12-week summer internship program. The position will be responsible for running molecular modeling to test hypotheses, providing data-driven analyses, and developing in-house binding free energy calculation workflows for membrane proteins. The successful candidate will work with senior computational chemists and medicinal chemists to provide molecular modeling support for drug discovery portfolio. This position will be office-based and 100% on-site.

Qualifications

Basic Qualifications/Required skills include, but are not limited to, the following:

  • Must be enrolled in a Ph.D program with a major in computational chemistry or similar fields. 
  • Proficiency in molecular dynamics simulations and binding free energy calculations.
  • Experience using Linux OS, HPC cluster and command line interface.
  • Proficiency in Python.
  • Experience with a modern MD simulation engine (e.g., AMBER, OpenMM).
  • Experience with MD simulation of small molecules.

Preferred Qualifications:

  • Deep understanding of binding free energy calculations in theory and practical set-up.
  • Experience with membrane protein modeling.
  • Experience with open-source python packages development.
  • Experience with structure-based modeling software such as MOE and/or Maestro

This position will be office-based and 100% on-site.

About Us

Why join Team Alkermes?

Alkermes applies its deep neuroscience expertise to develop medicines designed to help people living with complex and difficult-to-treat psychiatric and neurological disorders. A fully-integrated, global biopharmaceutical company, headquartered in Ireland with U.S. locations in Massachusetts and Ohio, we are committed to pursuing great science, driven by deep compassion to make a real impact in the lives of patients. Alkermes has a portfolio of proprietary commercial products for the treatment of alcohol dependence, opioid dependence, schizophrenia and bipolar I disorder, and a pipeline of clinical and preclinical candidates in development for various neurological disorders, including narcolepsy.

Beyond our important mission of developing medicines to address unmet patient needs, we actively seek to foster a culture of diversity, inclusion and belonging throughout our business. We strive to ensure that all voices are respected and valued, recognizing that our diversity of thought, background and perspective makes us stronger. We are proud to have been recognized as an employer of choice by many national organizations, including being certified as a Great Place to Work in the U.S. in 2024, honored as a Healthiest Employer in both Ohio and Massachusetts in 2023, a Best Place for Working Parents in 2023, and to have received the Bell Seal at the Platinum level for Workplace Mental Health by Mental Health America for three consecutive years (2021-2023). 


Alkermes, Inc. is an equal employment opportunity employer and does not discriminate against any qualified applicant or employee because of race, creed, color, age, national origin, ancestry, religion, gender, sexual orientation, gender expression and identity, disability, genetic information, veteran status, military status, application for military service or any other characteristic protected by local, state or federal law.  Alkermes also complies with all work authorization and employment eligibility verification requirements of the Immigration and Nationality Act and IRCA.  Alkermes is an E-Verify employer.

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Job Information
Job Category:
Science
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Research Intern – Computer Aided Drug Design
Alkermes, Inc.
Waltham, MA
Feb 22, 2025
Full-time
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