West Point, Pennsylvania

Job Description

Our company is committed to being the world’s premier, most research-intensive biopharmaceutical company. We are inspired by the belief that a research-driven enterprise dedicated to scientific excellence can save and improve lives through the discovery of new medicines and vaccines.

Our Computational and Structural Chemistry group, which is a diverse and inclusive team of approximately 90 computational chemists, informaticians, structural, and protein scientists who employ state of the art capabilities to drive drug design, is seeking a creative, self-motivated Computational Chemist with exceptional interpersonal and problem-solving skills to join our group in West Point, PA. 

The successful candidate will join highly collaborative, multidisciplinary teams working to discover some of tomorrow’s most important drugs.  As part of our company, you will have the opportunity to improve human health while developing your knowledge and skills through close collaboration with talented colleagues.  

Specifically, your responsibilities will include:

  • Carrying out virtual screening to identify novel hit compounds.

  • Assessing hits from cutting-edge screening technologies.

  • Using molecular docking to evaluate and prioritize novel molecules for synthesis.

  • Characterizing the conformational properties of molecules.

  • Using molecular simulation to understand complex phenomena and predict binding affinities.

  • Leveraging your learnings to design new molecules.

  • Defining best practices for the use of machine learning approaches on your teams.

  • Enhancing our modeling capabilities through research in new areas relevant to drug discovery and development.

Required Education:

  • Ph.D. (or very close to Ph.D. completion) in chemistry, biophysics, biochemistry, or equivalent with a computational emphasis and 0-3 years of industrial computational chemistry experience or a M.S. with 4 or more years of industrial computational chemistry experience.

Required Experience and Skills: 

  • Strong oral and written communication skills

  • A robust track record of publications, presentations, and speaking engagements

  • A commitment to inclusive behaviors

  • The ability to work well in global, multidisciplinary teams and influence projects in a cross-functional manner

  • The ability to perform in a fast-paced environment and handle multiple priorities simultaneously

  • Evidence of creative application of computational approaches to problems of pharmaceutical interest

Preferred Experience and Skills:

  • Expertise in modern molecular modeling techniques (e.g. docking, molecular simulation, homology modeling, quantum mechanics, QSAR / machine learning, ligand- and structure-based design) with modern software packages (e.g. Schrodinger, OpenEye, CCG)

  • Proficiency in scientific programming (e.g. Python, Pipeline Pilot) and data analytics (e.g. Spotfire)

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., Kenilworth, 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 …

In a world of rapid innovation, we seek brave Inventors who want to make an Impact in all aspects of our business, enabling breakthroughs that will affect generations to come. We encourage you to bring your disruptive thinking, collaborative spirit and diverse perspective to our organization. Together we will continue Inventing For Life, Impacting Lives while Inspiring Your Career Growth.





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.

US and Puerto Rico Residents Only:

If you need an accommodation for the application process please email us at staffingaadar@msd.com
For more information about personal rights under Equal Employment Opportunity, visit:

EEOC Poster

EEOC GINA Supplement​

OFCCP EEO Supplement

OFCCP Pay Transparency Rule

We are an equal opportunity employer, Minority/Female/Disability/Veteran – proudly embracing diversity in all of its manifestations.

Search Firm Representatives Please Read Carefully
Merck & Co., Inc., Kenilworth, NJ, USA, also known as Merck Sharp & Dohme Corp., Kenilworth, 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:




VISA Sponsorship:


Travel Requirements:


Flexible Work Arrangements:

Work Week


1st - Day

Valid Driving License:


Hazardous Material(s):

Number of Openings:


Requisition ID:R82159

West Point, Pennsylvania

Today's Merck is a global healthcare leader working to help the world be well. Merck is known as MSD outside the United States and Canada. Through our prescription medicines, vaccines, biologic therapies, and consumer care and animal health products, we work with customers and operate in more than 140 countries to deliver innovative health solutions. We also demonstrate our commitment to increasing access to healthcare through far-reaching policies, programs and partnerships. For more information, visit www.merck.com.

Similar jobs