Resume and JobRESUME AND JOB
MSD logo

Director, Computational Chemistry, Modeling & Informatics

MSD

Director, Computational Chemistry, Modeling & Informatics

full-timePosted: Jan 12, 2026

Job Description

Categories: Pharmaceutical, Research, Computational Chemistry, Drug Discovery, Leadership

Job Description

We are seeking a creative and passionate Computational Chemist with exceptional people and scientific leadership skills to lead our NJ-based Computational Chemistry group within Modeling and Informatics (M&I) at our company.

As part of our larger Discovery Chemistry organization, Modeling and Informatics is a inclusive team of approximately 50 computational chemists, informaticians, data and molecular design scientists who employ state-of-the-art capabilities to drive drug design and development across the globe.  We are seeking a passionate people leader and accomplished computational drug hunter to lead a team of talented computational chemists, support their growth and development, and provide strategic and scientific guidance to and through the team. As a member of the Global M&I Leadership Team, the successful candidate will also collaboratively set strategic directions and help shape the future of computational drug discovery at our company.

Key responsibilities will include:

 

People Leadership:

  • Management of the Rahway Modeling sub-teams, accountable for enabling talent growth and career development for all direct reports.

  • Deploying computational chemistry resources within the team against the Rahway and company-wide portfolios to accelerate our pipeline.

  • Supporting inclusion, along with a culture of innovation and engagement.

Scientific Leadership:

  • Delivering on our pipeline directly and through the scientific direction of the group, serving as a role model for advancing medicinal chemistry projects using computational approaches.

  • Scientific mentoring and training to maximize team impact against pipeline and capabilities deliverables.

  • Engaging in pipeline delivery spanning multiple therapeutic areas and three modalities, including peptides, small molecules, and protein degraders.

  • Leading aspects of our capability build and working groups toward our future-state vision of computational drug discovery at our company.

Strategy:

  • Collaboratively setting M&I strategy as a member of the M&I Leadership Team

  • Defining best practices for computational chemistry and directly influencing their execution

  • Reviewing opportunities for collaboration and licensing to enhance our capabilities

  • Enabling a design-driven and predict-first culture throughout our company's Chemistry

 

Building Relationships:

  • Building bridges and fruitful cross-functional collaborations with stakeholders across discovery chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, therapeutic area biology, information technology, and beyond

 

We recognize our team is our strength, and we are committed to creating an inclusive environment for all employees. Successful candidates must demonstrate a commitment to inclusive behaviors in order to drive our core mission.

 

Position Qualifications:

 

Education Minimum Requirement:

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

 

Required Experience and Skills:

  • 6-8+ years of industrial/highly applied experience with a Ph.D., 10-12+ years with a M.S., or 12-14+ years with a B.S.

  • Demonstrated broad success in advancing pipeline projects in drug discovery through computation, both independently and as a team leader

  • Proficiency 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 with people management

  • Strong oral and written communication skills, with a recognized ability to positively influence decisions and strategy

  • Experience with and passion for developing and/or mentoring computational chemists

  • Ability to build strong, inclusive relationships in highly collaborative, cross-functional teams to effectively drive computational drug discovery and prioritize across multiple demands

  • Experience in complex problem solving with excellent attention to detail and influencing strategy across organizational boundaries

Preferred Experience and Skills:

  • Experience in leading scientific initiatives or capability builds

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

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  

#EligibleforERP

Required Skills:

Computational Chemistry, Data Science, DMPK, Drug Discovery Research, High Performance Computing (HPC), Innovation, Machine Learning (ML), Mathematics Modeling, Molecular Modeling, Protein Ligand Interactions, Researching, Scientific Modeling, Structure Based Drug Design, Team Management

Preferred Skills:

Peptides

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

$210,400.00 - $331,100.00

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:

Yes

Travel Requirements:

10%

Flexible Work Arrangements:

Not Applicable

Shift:

Not Indicated

Valid Driving License:

No

Hazardous Material(s):

n/a

Job Posting End Date:

02/8/2026

*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.

Locations

  • Rahway, New Jersey, United States

Salary

Estimated Salary Rangemedium confidence

189,000 - 275,000 USD / yearly

Source: AI Estimation

* This is an estimated range based on market data and may vary based on experience and qualifications.

Skills Required

  • Computational Chemistryintermediate
  • People Leadershipintermediate
  • Scientific Leadershipintermediate
  • Drug Design and Discoveryintermediate
  • Medicinal Chemistryadvanced
  • Team Mentoring and Developmentadvanced
  • Strategic Planningadvanced

Required Qualifications

  • Proven leadership in computational chemistry teams (experience)
  • Accomplished computational drug discovery expertise (experience)
  • Experience across small molecules, peptides, and protein degraders (experience)
  • Exceptional people and scientific leadership skills (experience)

Responsibilities

  • Manage Rahway Modeling sub-teams and enable talent growth/career development for direct reports
  • Deploy computational chemistry resources against Rahway and company-wide portfolios to accelerate pipeline
  • Foster inclusion, culture of innovation, and employee engagement
  • Deliver pipeline impact through direct scientific direction and serve as role model for computational approaches in medicinal chemistry
  • Provide scientific mentoring and training to maximize team impact on pipeline and capabilities
  • Engage in pipeline delivery across multiple therapeutic areas and modalities (peptides, small molecules, protein degraders)
  • Lead capability build initiatives and working groups as member of Global M&I Leadership Team

Benefits

  • Career: Opportunity to shape future of computational drug discovery at global pharma leader
  • Professional: Membership in Global Modeling and Informatics Leadership Team
  • Growth: Support for team talent growth, career development, and scientific mentoring
  • Culture: Inclusive team environment fostering innovation and engagement

Target Your Resume for "Director, Computational Chemistry, Modeling & Informatics" , MSD

Get personalized recommendations to optimize your resume specifically for Director, Computational Chemistry, Modeling & Informatics. Takes only 15 seconds!

AI-powered keyword optimization
Skills matching & gap analysis
Experience alignment suggestions

Check Your ATS Score for "Director, Computational Chemistry, Modeling & Informatics" , MSD

Find out how well your resume matches this job's requirements. Get comprehensive analysis including ATS compatibility, keyword matching, skill gaps, and personalized recommendations.

ATS compatibility check
Keyword optimization analysis
Skill matching & gap identification
Format & readability score

Tags & Categories

MSDMerckPharmaPharmaceuticalResearchComputational ChemistryDrug DiscoveryLeadership

Answer 10 quick questions to check your fit for Director, Computational Chemistry, Modeling & Informatics @ MSD.

Quiz Challenge
10 Questions
~2 Minutes
Instant Score

Related Books and Jobs

No related jobs found at the moment.

MSD logo

Director, Computational Chemistry, Modeling & Informatics

MSD

Director, Computational Chemistry, Modeling & Informatics

full-timePosted: Jan 12, 2026

Job Description

Categories: Pharmaceutical, Research, Computational Chemistry, Drug Discovery, Leadership

Job Description

We are seeking a creative and passionate Computational Chemist with exceptional people and scientific leadership skills to lead our NJ-based Computational Chemistry group within Modeling and Informatics (M&I) at our company.

As part of our larger Discovery Chemistry organization, Modeling and Informatics is a inclusive team of approximately 50 computational chemists, informaticians, data and molecular design scientists who employ state-of-the-art capabilities to drive drug design and development across the globe.  We are seeking a passionate people leader and accomplished computational drug hunter to lead a team of talented computational chemists, support their growth and development, and provide strategic and scientific guidance to and through the team. As a member of the Global M&I Leadership Team, the successful candidate will also collaboratively set strategic directions and help shape the future of computational drug discovery at our company.

Key responsibilities will include:

 

People Leadership:

  • Management of the Rahway Modeling sub-teams, accountable for enabling talent growth and career development for all direct reports.

  • Deploying computational chemistry resources within the team against the Rahway and company-wide portfolios to accelerate our pipeline.

  • Supporting inclusion, along with a culture of innovation and engagement.

Scientific Leadership:

  • Delivering on our pipeline directly and through the scientific direction of the group, serving as a role model for advancing medicinal chemistry projects using computational approaches.

  • Scientific mentoring and training to maximize team impact against pipeline and capabilities deliverables.

  • Engaging in pipeline delivery spanning multiple therapeutic areas and three modalities, including peptides, small molecules, and protein degraders.

  • Leading aspects of our capability build and working groups toward our future-state vision of computational drug discovery at our company.

Strategy:

  • Collaboratively setting M&I strategy as a member of the M&I Leadership Team

  • Defining best practices for computational chemistry and directly influencing their execution

  • Reviewing opportunities for collaboration and licensing to enhance our capabilities

  • Enabling a design-driven and predict-first culture throughout our company's Chemistry

 

Building Relationships:

  • Building bridges and fruitful cross-functional collaborations with stakeholders across discovery chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, therapeutic area biology, information technology, and beyond

 

We recognize our team is our strength, and we are committed to creating an inclusive environment for all employees. Successful candidates must demonstrate a commitment to inclusive behaviors in order to drive our core mission.

 

Position Qualifications:

 

Education Minimum Requirement:

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

 

Required Experience and Skills:

  • 6-8+ years of industrial/highly applied experience with a Ph.D., 10-12+ years with a M.S., or 12-14+ years with a B.S.

  • Demonstrated broad success in advancing pipeline projects in drug discovery through computation, both independently and as a team leader

  • Proficiency 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 with people management

  • Strong oral and written communication skills, with a recognized ability to positively influence decisions and strategy

  • Experience with and passion for developing and/or mentoring computational chemists

  • Ability to build strong, inclusive relationships in highly collaborative, cross-functional teams to effectively drive computational drug discovery and prioritize across multiple demands

  • Experience in complex problem solving with excellent attention to detail and influencing strategy across organizational boundaries

Preferred Experience and Skills:

  • Experience in leading scientific initiatives or capability builds

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

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  

#EligibleforERP

Required Skills:

Computational Chemistry, Data Science, DMPK, Drug Discovery Research, High Performance Computing (HPC), Innovation, Machine Learning (ML), Mathematics Modeling, Molecular Modeling, Protein Ligand Interactions, Researching, Scientific Modeling, Structure Based Drug Design, Team Management

Preferred Skills:

Peptides

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

$210,400.00 - $331,100.00

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:

Yes

Travel Requirements:

10%

Flexible Work Arrangements:

Not Applicable

Shift:

Not Indicated

Valid Driving License:

No

Hazardous Material(s):

n/a

Job Posting End Date:

02/8/2026

*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.

Locations

  • Rahway, New Jersey, United States

Salary

Estimated Salary Rangemedium confidence

189,000 - 275,000 USD / yearly

Source: AI Estimation

* This is an estimated range based on market data and may vary based on experience and qualifications.

Skills Required

  • Computational Chemistryintermediate
  • People Leadershipintermediate
  • Scientific Leadershipintermediate
  • Drug Design and Discoveryintermediate
  • Medicinal Chemistryadvanced
  • Team Mentoring and Developmentadvanced
  • Strategic Planningadvanced

Required Qualifications

  • Proven leadership in computational chemistry teams (experience)
  • Accomplished computational drug discovery expertise (experience)
  • Experience across small molecules, peptides, and protein degraders (experience)
  • Exceptional people and scientific leadership skills (experience)

Responsibilities

  • Manage Rahway Modeling sub-teams and enable talent growth/career development for direct reports
  • Deploy computational chemistry resources against Rahway and company-wide portfolios to accelerate pipeline
  • Foster inclusion, culture of innovation, and employee engagement
  • Deliver pipeline impact through direct scientific direction and serve as role model for computational approaches in medicinal chemistry
  • Provide scientific mentoring and training to maximize team impact on pipeline and capabilities
  • Engage in pipeline delivery across multiple therapeutic areas and modalities (peptides, small molecules, protein degraders)
  • Lead capability build initiatives and working groups as member of Global M&I Leadership Team

Benefits

  • Career: Opportunity to shape future of computational drug discovery at global pharma leader
  • Professional: Membership in Global Modeling and Informatics Leadership Team
  • Growth: Support for team talent growth, career development, and scientific mentoring
  • Culture: Inclusive team environment fostering innovation and engagement

Target Your Resume for "Director, Computational Chemistry, Modeling & Informatics" , MSD

Get personalized recommendations to optimize your resume specifically for Director, Computational Chemistry, Modeling & Informatics. Takes only 15 seconds!

AI-powered keyword optimization
Skills matching & gap analysis
Experience alignment suggestions

Check Your ATS Score for "Director, Computational Chemistry, Modeling & Informatics" , MSD

Find out how well your resume matches this job's requirements. Get comprehensive analysis including ATS compatibility, keyword matching, skill gaps, and personalized recommendations.

ATS compatibility check
Keyword optimization analysis
Skill matching & gap identification
Format & readability score

Tags & Categories

MSDMerckPharmaPharmaceuticalResearchComputational ChemistryDrug DiscoveryLeadership

Answer 10 quick questions to check your fit for Director, Computational Chemistry, Modeling & Informatics @ MSD.

Quiz Challenge
10 Questions
~2 Minutes
Instant Score

Related Books and Jobs

No related jobs found at the moment.