Principal Scientist, Peptide Computational Chemistry

Position Description

We are seeking a creative, self-motivated computational chemist with exceptional interpersonal and problem-solving skills to join our Modeling and Informatics (M&I) team.

As part of the Discovery Chemistry family, M&I employs state of the art capabilities in predictive sciences, AI/ML and structure-based drug design to accelerate our invention of transformative therapeutics for patients.

We're expanding our capabilities in peptide computational chemistry to support our ambitious strategy for next-generation therapeutic discovery.

We are seeking a strategic thinker and accomplished computational drug hunter to take on leadership of our peptide modeling capability. This will be a network-facing position, and will be working across geographical and departmental boundaries to advance our computational capabilities for one of our high investment modalities: macrocyclic peptides. This position will carry significant influence on our discovery organization, from target identification through delivery of clinical candidates across our fast-growing peptide project portfolio. With in-house access to the most innovative screening techniques, and world-class medicinal chemistry, this position offers a wealth of opportunities to impact our discovery pipeline and ultimately save and improve patient lives.

Key responsibilities will include:

Scientific Innovation:

• Design and optimization of peptide drug candidates using advanced computational techniques as a member of discovery teams
• Advancing our peptide modeling capabilities through invention of novel computational methodologies as necessary to drive impact
• Coordinating with adjacent functional teams (e.g. Research IT, Informatics) to implement new methods and workflows to support peptide drug discovery across our organization, including physics-based and AI/ML approaches
• Functioning as a subject matter champion for ligand- and structure-based drug design across our discovery network

Building Relationships:

• Trusted partner for Discovery Chemistry and adjacent functions for peptides expertise
• Building fruitful collaborations with stakeholders across medicinal chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, and therapeutic area biology
• Contributing to the continued scientific growth and development of both M&I and Chemistry colleagues as a mentor and influencer both locally and across our network
• Contributing to the reputation of our Company's peptide capabilities through presentation at conferences and publications, and cultivating relationships with external experts

Strategy :

• Leading specific strategic initiatives to enable our future vision for computational chemistry approaches for drug discovery - with a particular focus on peptides
• Enabling a design-driven and predict-first culture throughout our Company's Chemistry
• Contributing to our Company's overarching drug discovery strategy

We recognize that the diversity in our team is our strength and are committed to creating an inclusive environment for all employees. Successful candidates must demonstrate inclusive behaviors in working with a diverse group of scientists to drive our core mission.

Position Qualifications :

Education Minimum Requirement:

• Ph.D. or M.S. degree in chemistry, biochemistry, biophysics, or equivalent with a computational emphasis.

Required Experience and Skills:

• For Ph.D. holders: 8 years of relevant professional experience beyond graduation (i.e., Pharma, Biotech or equivalent), or 11 years with a M.S. degree.
• Exceptional oral and written communication skills, with a demonstrated ability to positively and impactfully influence team decisions in drug discovery
• Ability to communicate, collaborate and deliver results in a fast-paced, global environment and to manage multiple priorities simultaneously
• Ability to see the 'big picture', and to identify opportunities for impact now and in the future
• Expertise in general molecular modeling techniques (docking, molecular simulation, homology modeling, quantum mechanics, QSAR / machine learning, ligand- and structure-based design) with modern software packages (e.g. Schrodinger, OpenEye, CCG)
• Experience in leading strategic scientific initiatives relevant to drug discovery
• Skilled in scientific programming (e.g. Python, Pipeline Pilot) and data analytics (e.g. Spotfire) and democratizing coding and workflows
• Passion for mentoring and coaching scientific peers

Preferred Experience and Skills:

• People management is possible for this position, but it can be tailored to fit the right candidate's preferred development pathway

#EligibleforERP

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics. As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities. For more information about personal rights under the U.S. Equal Opportunity Employment laws, visit:

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

Learn more about your rights, including under California, Colorado and other US State Acts

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.

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics. As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities. For more information about personal rights under the U.S. Equal Opportunity Employment laws, visit:

EEOC Know Your Rights

EEOC GINA Supplement

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

Learn more about your rights, including under California, Colorado and other US State Acts

U.S. Hybrid Work Model

Effective September 5, 2023, employees in office-based positions in the U.S. will be working a Hybrid work consisting of three total days on-site per week, Monday - Thursday, although the specific days may vary by site or organization, with Friday designated as a remote-working day, unless business critical tasks require an on-site presence.This Hybrid work model does not apply to, and daily in-person attendance is required for, field-based positions; facility-based, manufacturing-based, or research-based positions where the work to be performed is located at a Company site; positions covered by a collective-bargaining agreement (unless the agreement provides for hybrid work); or any other position for which the Company has determined the job requirements cannot be reasonably met working remotely. Please note, this Hybrid work model guidance also does not apply to roles that have been designated as "remote".

The salary range for this role is
$169,700.00 - $267,200.00

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 .

You can apply for this role through (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/International

VISA Sponsorship:
Yes

Travel Requirements:
10%

Flexible Work Arrangements:
Not Applicable

Shift:
Not Indicated

Valid Driving License:
No

Hazardous Material(s):
N/A

Required Skills:
Computational Chemistry, Computer Aided Drug Design, Data Science, Machine Learning, Mathematics Modeling, Molecular Dynamics (MD), Molecular Modeling, Peptide Chemistry, Peptides, Researching, Scientific Modeling, Structure Based Drug Design

Preferred Skills:

Job Posting End Date:
10/6/2025
*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.

Requisition ID: R365373