Senior Scientist, Computational Chemistry

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Job Title: Senior Scientist, Computational Chemistry
Location: New York, NY, Mid-Atlantic United States,

Company: Merck
Industry Sector: Agribusiness

Job Description: Job Description

Our Research Scientists are our Inventors. We identify and target steps in disease mechanisms or pathways that could be inhibited or enhanced. Our goal is to isolate a compound that is effective against a disease target. Using innovative thinking, state-of-the-art facilities and robust scientific methodology we collaborate to discover the next medical breakthrough.

Position Title

Senior Scientist, Computational Chemistry - Peptide Specialist

Position Description

Our company is seeking a creative, self-motivated computational chemist with exceptional interpersonal and problem-solving skills to join the Modeling group in Kenilworth, NJ, part of the Computational and Structural Chemistry (CSC) department. We are looking to expand our capability in peptide computational chemistry to support our future peptide strategy.

CSC is a team of approximately 110 scientists, who employ state of the art capabilities in predictive science, macromolecular structure, biophysics, mass spectrometry, and protein production to drive drug design. We are an integral arm of both discovery and process chemistry, and we collaborate seamlessly with teams across the globe to invent better molecules faster. With an unbiased approach to drug modalities, in-house access to the newest screening techniques, and world-class medicinal chemistry, we have a wealth of opportunities to impact our pipeline and ultimately save and improve patient lives.

The successful candidate will join multidisciplinary, highly collaborative discovery teams both locally and across the global network to invent novel medicines by applying advanced computational techniques and developing innovative computational methods.

Key responsibilities will include:

1) Design and optimization of drug candidates using advanced computational techniques as a member of discovery teams through:
  • design of peptides utilizing existing company tools and techniques
  • informative data analysis and visualization of SAR and mRNA-display screening data
  • protein construct design
  • peptide library design
  • development of innovative computational methods for peptide modeling
  • application of machine learning
  • influencing teams by effectively communicating non-obvious insights from computational approaches to drive projects forward

2) Contributing to the overall wellbeing of the department by sharing knowledge, workflows, and being invested in the success of your peers.

Our organization is inspired by invention and founded on a culture of respect and collaboration. We recognize that the diversity in our team is our strength and are committed to creating an inclusive environment for all our employees. Successful candidates must demonstrate inclusive behaviors in working with a diverse group of scientists to drive our core mission. By joining us, you'll have the opportunity to expand your knowledge and skills through collaboration with talented and dedicated colleagues while contributing to developing medicines for human health.

Position Qualifications :

Education Minimum Requirement:
  • PhD (or PhD to be awarded before Spring 2023, or master's degree with minimum of 4 years of experience in drug discovery industry) in biophysics, biochemistry, chemistry, engineering, or equivalent, with a computational emphasis

Required Experience and Skills:
  • A desire to learn and to innovate
  • Specific experience with peptide design using conformational analysis, amino acid monomers , in silico mutation , property prediction or similar
  • Evidence of creative application of computational approaches to problems of pharmaceutical interest
  • Ability to communicate, collaborate and deliver results as a member of multi-disciplinary teams
  • Ability to manage multiple priorities simultaneously
  • Strong oral and written communication skills
  • Strong track record of recent publications and/or presentations

Preferred Experience and Skills:
  • Experience with Linux
  • Proficiency with modeling software packages (e.g. Schrodinger, MOE, Rosetta)
  • Proficiency in general molecular modeling techniques (docking, molecular simulation, homology modeling, quantum mechanics, ligand- and structure-based design)
  • Skilled in scientific programming (e.g. Python, Pipeline Pilot) and data analytics (e.g. Spotfire, Pandas, Jupyter)
  • Experience with QSAR, machine learning, deep learning.


We are a research-driven biopharmaceutical company. Our mission is built on the simple premise that if we "follow the science" that great medicines can make a significant impact to our world. We believe that a research-driven enterprise dedicated to world-class science can succeed by inventing medicine and vaccine innovations that make a difference for patients across the globe.

Who we are ...

We are known as Merck & Co., Inc., Rahway, New Jersey, USA in the United States and Canada and MSD everywhere else. For more than a century, we have been inventing for life, bringing forward medicines and vaccines for many of the world's most challenging diseases. Today, our company continues to be at the forefront of research to deliver innovative health solutions and advance the prevention and treatment of diseases that threaten people and animals around the world.

What we look for ...

Imagine getting up in the morning for a job as important as helping to save and improve lives around the world. Here, you have that opportunity. You can put your empathy, creativity, digital mastery, or scientific genius to work in collaboration with a diverse group of colleagues who pursue and bring hope to countless people who are battling some of the most challenging diseases of our time. Our team is constantly evolving, so if you are among the intellectually curious, join us-and start making your impact today.


In accordance with Managers' Policy - Job Posting and Employee Placement, all employees subject to this policy are required to have a minimum of twelve (12) months of service in current position prior to applying for open positions.

If you have been offered a separation benefits package, but have not yet reached your separation date and are offered a position within the salary and geographical parameters as set forth in the Summary Plan Description (SPD) of your separation package, then you are no longer eligible for your separation benefits package. To discuss in more detail, please contact your HRBP or Talent Acquisition Advisor.

Residents of Colorado

Click here to request this role's pay range.

For positions located in the United States and Puerto Rico - Subject to applicable law, all new hires (including internal transfers) must demonstrate that they are fully vaccinated against COVID-19 or that they qualify for a medical or religious exemption to this vaccination requirement. New hires (including internal transfers) to a position that, as determined by the Company, requires routine collaboration with external stakeholders (such as roles in health services or customer-facing commercial or research-based roles) ("Customer-Facing Role") who are not vaccinated must qualify for a medical or religious exemption and be in a position that the Company determines can accommodate unvaccinated employees without causing an undue burden to business operations. If, following dialog with the candidate as appropriate, it is determined that the candidate either a) does not qualify for a religious or medical exemption or, b) for candidates applying for Customer-Facing roles, it is determined that allowing the candidate to work without vaccination would cause an undue burden to the Company, the candidate will be ineligible for hire or transfer, or any offer of employment or transfer (if applicable) will be revoked. Please note that notwithstanding the approval of any reasonable accommodation, the Company reserves the right to monitor, modify, or revoke any such accommodation if it is determined, following dialog with the employee, that the accommodation is no longer effective or results in an undue burden to the Company.

Current Employees apply HERE

Current Contingent Workers apply HERE

US and Puerto Rico Residents Only:

Our company is committed to inclusion, ensuring that candidates can engage in a hiring process that exhibits their true capabilities. Please click here if you need an accommodation during the application or hiring process.

For more information about personal rights under Equal Employment Opportunity, visit:

EEOC Poster

EEOC GINA Supplement

OFCCP EEO Supplement

Pay Transparency Nondiscrimination

We are proud to be a company that embraces the value of bringing diverse, talented, and committed people together. The fastest way to breakthrough innovation is when diverse ideas come together in an inclusive environment. We encourage our colleagues to respectfully challenge one another's thinking and approach problems collectively. We are an equal opportunity employer, committed to fostering an inclusive and diverse workplace.

Under New York City law, the Company is required to provide a reasonable estimate of the salary range for this job. Final determinations with respect to salary will take into account a number of factors, which may include, but not be limited to the primary work location and the chosen candidate's relevant skills, experience, and education.

Expected salary range:
$96,700.00 - $164,500.00

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:


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Travel Requirements:

Flexible Work Arrangements:
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Hazardous Material(s):

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To apply please click on APPLY TO THIS POSITION

Job Post Date: 11/09/22
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