Merck & Co, Inc

Associate Principal Scientist, Molecular Modeling

Merck & Co, Inc$142K — $224K *
Pharmaceuticals & Biotech
Less than 5 years of experience
Job Overview by Ladders

Qualifications

  • Ph.D. or relevant master's/bachelor's degree in Computational Chemistry or related field with significant experience.
  • Expertise in atomistic modeling, particularly with antibodies and small molecules.
  • Proficient in molecular dynamics simulations across various platforms.
  • Familiar with programming in R and Python.
  • Experienced with data visualization tools.

Responsibilities

  • Execute atomistic molecular modeling and dynamics simulations.
  • Apply predictive science approaches to solve pharmaceutical characterization challenges.
  • Implement data science workflows to tackle pipeline issues with a focus on biologics.
  • Develop data analysis and visualization workflows.
  • Contribute to the creation of dashboards and reporting tools.
  • Lead project management efforts, ensuring milestones and timelines are met.
  • Collaborate with diverse scientific teams to define and implement digital strategies.

Benefits

  • Comprehensive health care coverage including dental and vision.
  • 401(k) retirement plan.
  • Paid holidays and vacation days.
  • Compassionate and sick leave days.
  • Opportunities for annual bonuses and long-term incentives.
Full Job Description

Job Description

We are seeking a motivated Associate Principal Scientist to join our Digital Insights team within the Development Sciences and Clinical Supply (DSCS) Digital Technologies organization. The DSCS Digital Technologies organization is responsible for the invention and application of new digital tools/workflows to support scientists across drug substance development, drug product development and analytical development. Digital is the multiplier that will allow DSCS to deliver better experiments faster, efficient filing and launch, more robust supply chains and higher-confidence decisions across the portfolio. We aspire to embed digital technologies into the fabric of DSCS culture to drive transformational impact, by innovating solutions through strong partnership in the domains of Data Science, Data Analysis, Informatics, Multi-Omics, Predictive Science, and Data Engineering.

The tools that we develop are as diverse as the teams developing them, and in this Associate Principal Scientist role, the successful candidate will leverage their expertise in atomistic modeling of drug substance and drug formulations with an ability to apply predictive sciences to support our Company’s pipeline of antibodies, small molecules, peptides, biologics, conjugates, and vaccines. This role will allow the candidate to solve complex scientific challenges through application of data modeling, analysis, and visualization tools. Initial focus will be related to modeling of antibodies and small molecule drug formulations.

 

The successful candidate is expected to collaboratively work with process, formulation, computational, and analytical scientists, understand their problem statements, and collaboratively implement and apply predictive science solutions. The candidate must be able to work proactively and independently and influence decisions and solutions spanning a wide diversity of problem statements across our Research & Development Division. The role will require the candidate to network across a range of departments and effectively collaborate with stakeholders. The candidate should exemplify positive ways of working which support diversity, inclusion, and a positive culture.

 

Primary Responsibilities

  • Expert execution of atomistic molecular modeling and molecular dynamics simulations.
  • Application of predictive approaches to address scientific problems across pharmaceutical characterization techniques.
  • Application of data science workflows to address pipeline challenges across all modalities with initial emphasis on biologics.
  • Application and generation of data analysis, and visualization workflows.
  • Input on development of dashboards, reports, and data exports.
  • Influence definition of digital strategy.
  • Lead and manage projects, including scope definition, stakeholder alignment, milestone tracking, and delivery against project timelines
  • Build strong partnerships with business stakeholders to gather requirements for new digital and data solutions which will have direct pipeline impact.
  • Demonstrate excellent interpersonal, communication, and collaboration skills
  • Demonstrate a clear ability to perform impactful scientific innovation in a team-oriented manner that builds trusted partnerships across vast stakeholder networks
  • Have a demonstrated ability to publish and present research, including an established track record of interaction with the broader academic community

Education Minimum Requirements

  • A Ph.D. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 4 years of relevant experience.
  • A M.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 6 years of relevant experience.
  • A B.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 8 years of relevant experience.

Required Experience and Skills

  • Expertise in atomistic modeling (direct experience with antibodies and at least one other modality: small molecules, peptides, biologics, conjugates, and vaccines).
  • Expertise in executing molecular dynamics simulations of multi-component systems.
  • Expertise across multiple computational modeling platforms such as: Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold, etc.
  • Familiar with programming in R and/or Python and Posit/RStudio/Jupyter
  • Experience with one or more data visualization tools (Shiny, Spotfire, Dash, PowerBI, Streamlit, or Tableau).
  • Excellent verbal and written communications skills.
  • Work independently and be able to collaborate as a team.

 

Preferred Experience and Skills

  • Multi-scale modeling including coarse grained molecular dynamics.
  • Familiarity with Machine learning/Gen AI.
  • Experience with pharmaceutical drug product development involving formulation design.
  • Knowledge of development of chemical matter across one or more modalities.
  • Track record of impact in the pharmaceutical industry with relevant examples directed towards pipeline objectives.
  • Development of dashboards, reports, and data exports.

Required Skills:

Adaptability, Biopharmaceutical Industry, Biopharmaceuticals, Chromatographic Techniques, Computational Chemistry, Data Analysis, Data Science, High Resolution Mass Spectrometry (HRMS), Liquid Chromatography-Mass Spectrometry (LC-MS), Mass Spectrometry Analysis, Molecular Modeling, Pharmaceutical Development, Pharmaceutical Sciences

Preferred Skills:

Current Employees apply HERE

Current Contingent Workers apply HERE

US and Puerto Rico Residents Only:

The salary range for this role is

$142,400.00 - $224,100.00

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 employee’s 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. More information about benefits is available at https://jobs.merck.com/us/en/compensation-and-benefits.

You can apply for this role through https://jobs.merck.com/us/en (or via the Workday Jobs Hub if you are a current employee). The application deadline for this position is stated on this posting.

San Francisco Residents Only: We will consider qualified applicants with arrest and conviction records for employment in compliance with the San Francisco Fair Chance Ordinance

Los Angeles Residents Only: We will consider for employment all qualified applicants, including those with criminal histories, in a manner consistent with the requirements of applicable state and local laws, including the City of Los Angeles’ Fair Chance Initiative for Hiring Ordinance

Search Firm Representatives Please Read Carefully 
Merck & Co., Inc., Rahway, NJ, USA, also known as Merck Sharp & Dohme LLC, Rahway, NJ, USA, does not accept unsolicited assistance from search firms for employment opportunities. All CVs / resumes submitted by search firms to any employee at our company without a valid written search agreement in place for this position will be deemed the sole property of our company.  No fee will be paid in the event a candidate is hired by our company as a result of an agency referral where no pre-existing agreement is in place. Where agency agreements are in place, introductions are position specific. Please, no phone calls or emails. 

Employee Status:

Regular

Relocation:

Domestic

VISA Sponsorship:

No

Travel Requirements:

10%

Flexible Work Arrangements:

Hybrid

Shift:

Not Indicated

Valid Driving License:

No

Hazardous Material(s):

n/a

Job Posting End Date:

07/9/2026

*A job posting is effective until 11:59:59PM on the day BEFORE the listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.

About Merck & Co, Inc

Schering-Plough Corporation is a major U.S.-based manufacturer of pharmaceuticals. It operates in three segments: Prescription Pharmaceuticals, Animal Health, and Consumer Health Care. Schering-Plough develops products targeting on allergy, cancer, hepatitis, cardiovascular, central nervous system, respiratory system, and more.  It was founded in 1851 by Ernst Christian Friedrich Schering as Schering AG in Germany. Schering-Plough manufactured several pharmaceutical drugs, the most well-known of which were the allergy drugs Claritin and Clarinex, an anti-cholesterol drug Vytorin, and a brain tumor drug Temodar. It also developed drugs targeting on central nervous system and the respiratory system. Schering Plough also owned and operated the major foot care brand name Dr. Scholl's and the skin care line Coppertone. These also became a part of the new company. Schering-Plough was a full member of the European Federation of Pharmaceutical Industries and Associations (EFPIA), a membership which is also maintained by the new Merck.

Merck & Co, Inc Careers

Join the visionary team at Merck & Co, Inc, a global leader in healthcare dedicated to advancing the world of medicine. As part of our professional community, you'll find dynamic job opportunities that foster innovation and leadership across various fields. Merck & Co, Inc is not just a company; it's a place where you can make a difference.

Work You’ll Do

At Merck & Co, Inc, we are committed to improving global health through groundbreaking research and innovative healthcare solutions. Our team is at the forefront of developing new therapies and vaccines that significantly impact public health worldwide. By joining us, you will collaborate with some of the brightest minds in the industry, using your skills to contribute to projects that save and improve lives around the globe.

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Whether you're seeking an internship, a graduate opportunity, or a professional position, Merck & Co, Inc offers a range of career paths in environments that promote rapid professional growth and development. Explore job opportunities in research, digital transformation, manufacturing, and more, all while benefiting from a culture that supports diversity and inclusion.

Innovate and Lead

Merck & Co, Inc is an ideal environment for those who lead with curiosity and the drive to innovate. Our leadership is committed to fostering a culture where inventive thinking and collaboration are encouraged, making it a perfect place for professionals who seek to make an impact through their work.

Develop Your Skills

With Merck & Co, Inc, you are not just getting a job; you're gaining access to unparalleled career development opportunities. Enhance your skills through diverse training programs, workshops, and continuous learning courses designed to help you grow at every stage of your career.

Benefits and Culture

We understand that our employees are our greatest asset, which is why we offer competitive benefits designed to support the health and well-being of you and your family. From comprehensive health care coverage and retirement plans to flexible working conditions and wellness programs, our benefits package is designed to meet the diverse needs of our team members.

Join Our Team

Ready to advance your career at Merck & Co, Inc? Search open positions that match your skills and interests. We are continuously hiring and looking for passionate, creative, and solution-driven team players. Prepare your resume, sharpen your interview skills, and become part of a company that's dedicated to making a difference.

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Learn more about Merck & Co, Inc
Size
68,000 employees
Market Cap
$282.6 billion
Industry
Net Income
$7 billion
Founded
1668
5 Year Trend
+4.1%
Revenue
$47.9 billion
NASDAQ

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