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Pharmaceutical Computational Chemistry Jobs (NOW HIRING)

Pfizer

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ... Prior experience in pharmaceutical or biotech drug discovery environments. * Familiarity with ...

Pfizer

Senior Computational Chemist

California, MO · On-site

$106 - $177/hr

MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ... Prior experience in pharmaceutical or biotech drug discovery environments.* Familiarity with ...

Pfizer, Inc.

Senior Computational Chemist

La Jolla, CA · On-site

$106K - $176K/yr

MLCS supports medicinal chemistry and drug design teams by enabling data-driven decision making ... Prior experience in pharmaceutical or biotech drug discovery environments. * Familiarity with ...

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Pharmaceutical Computational Chemistry information

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$11K

$52.4K

$69K

How much do pharmaceutical computational chemistry jobs pay per year?

As of Sep 2, 2026, the average yearly pay for pharmaceutical computational chemistry in the United States is $52,379.00, according to ZipRecruiter salary data. Most workers in this role earn between $43,000.00 and $67,000.00 per year, depending on experience, location, and employer.

What is pharmaceutical computational chemistry?

Pharmaceutical computational chemistry is a scientific discipline that uses computer-based models and simulations to study and predict the behavior of molecules relevant to drug discovery and development. Researchers in this field apply techniques such as molecular modeling, quantum chemistry, and molecular dynamics to design new drugs, understand how drugs interact with biological targets, and optimize the properties of drug candidates. This approach helps reduce the time and cost needed for drug discovery by predicting which compounds are most likely to succeed before they are synthesized and tested in the lab.

What are the key skills and qualifications needed to thrive as a pharmaceutical computational chemist?

To thrive as a Pharmaceutical Computational Chemist, you need a solid background in chemistry, molecular modeling, and data analysis, usually supported by a Ph.D. or master's in chemistry, computational chemistry, or a related field. Expertise in software tools such as Schrödinger, MOE, AMBER, or Gaussian, and familiarity with scripting languages like Python or R are highly valued. Strong problem-solving, collaboration, and communication skills help you work effectively in multidisciplinary research teams and present complex findings clearly. These skills and qualities are vital for driving innovative drug discovery and optimizing molecular design in the pharmaceutical industry.

What are some typical challenges faced by pharmaceutical computational chemists in research projects?

Computational chemists in the pharmaceutical industry often encounter challenges such as accurately predicting molecular interactions, managing large and complex datasets, and integrating computational results with experimental findings. Balancing speed and accuracy when modeling compounds, and effectively communicating insights to multidisciplinary teams, are also common hurdles. Staying updated on rapidly evolving software and methodologies is crucial, as is collaborating closely with medicinal chemists and biologists to ensure computational predictions translate into real-world drug discovery success.

What is the difference between Pharmaceutical Computational Chemistry vs Pharmaceutical Medicinal Chemist?

AspectPharmaceutical Computational ChemistryPharmaceutical Medicinal Chemist
Required CredentialsBachelor's or Master's in Chemistry, Computational Chemistry, or related fields; often requires programming skillsBachelor's or Master's in Chemistry, Organic Chemistry, or Medicinal Chemistry; strong laboratory and synthesis skills
Work EnvironmentPrimarily computer-based, using modeling and simulation software in labs or officesLaboratory setting, performing chemical synthesis and analysis
Employer & Industry UsagePharmaceutical companies, biotech firms, research institutionsPharmaceutical companies, research labs, biotech firms
Common Search & ComparisonYesYes

Pharmaceutical Computational Chemists focus on using computer models and simulations to predict drug behavior, while Pharmaceutical Medicinal Chemists are involved in designing and synthesizing new drug compounds in the lab. Both roles are essential in drug development but differ mainly in their methods and work environments.

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What cities are hiring for Pharmaceutical Computational Chemistry jobs?

Cities with the most Pharmaceutical Computational Chemistry job openings:

What job categories do people searching Pharmaceutical Computational Chemistry jobs look for?

The top searched job categories for Pharmaceutical Computational Chemistry jobs are:

Pharmaceutical Computational Chemistry jobs near you
Infographic showing various Pharmaceutical Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 81% Full Time, 14% Part Time, 1% Temporary, 2% Contract, and 1% Nights. Highlights an 88% Physical, 2% Hybrid, and 10% Remote job distribution, with an average salary of $52,379 per year, or $25.2 per hour.

Principal Scientist, Computational Chemistry

Cytokinetics

South San Francisco, CA • On-site

$202K - $236K/yr

Full-time

Re-posted 18 days ago

Job description

Cytokinetics is a specialty cardiovascular biopharmaceutical company, building on its over 25 years of pioneering scientific innovations in muscle biology, and advancing a pipeline of potential new medicines for patients suffering from diseases of cardiac muscle dysfunction.
At Cytokinetics, each team member plays an integral part in advancing our mission to improve the lives of patients. We are seeking tenacious, compassionate, and collaborative individuals who are driven to make a positive impact.
We are seeking a candidate with the primary responsibility to lead the computational chemistry efforts and help drive the Research portfolio. Reporting to Head of Drug Discovery, you will bring expertise in structure-guided drug design, molecular modeling, molecular dynamics and library design. The candidate will play a key role in advancing discovery programs by serving as an active member of project teams.
Responsibilities include guiding programs from initial target validation stages through to candidate identification, as well as mentoring medicinal chemists to enhance their understanding and application of computational chemistry best practices. As the lead Computational Chemist on our programs, you will utilize your experience in structure-based and ligand-based design and modeling to drive new discovery processes. Leveraging state-of-the-art machine learning technologies such as QSAR modeling, de novo design tools, and reaction prediction algorithms, you will develop robust workflows and processes that enhance compound design capabilities and enable data-driven decision-making.
Emphasis will be placed on utilization of technologies and processes to improve quality of our compounds as they move towards the clinic. This includes enhancing and complementing our hit-to-lead and lead optimization processes utilizing emerging technologies (e.g. active learning).
In this role you will:
  • Lead efforts focused on molecular modeling, structure-based drug design and generative design
  • Advance current drug discovery process by co-developing augmented computational strategy for hit-finding through lead optimization
  • Foster an environment of innovation and entrepreneurship to build, integrate and apply computational tools and workflows
  • Provide hands-on computational chemistry guidance and support for drug discovery projects
  • Guide innovation around small molecule computational design and optimization
  • Collaborate closely with Research departments, especially Medicinal Chemistry, Discovery Biology, and Discovery Technologies as an integral part of our compound design team
  • Establish the Computational Chemistry strategy, including leveraging CROs and collaborators to drive our pipeline efficiently and effectively
  • Champion Cytokinetics' culture of embracing scientific excellence, agility, integrity with a sense of quality and collaboration

Qualifications
  • Ph.D. in Computational Chemistry, or a related discipline with an emphasis on Computational Chemistry
  • 12+ years of experience in the biotech or pharmaceutical industry and demonstrated impact on project progression
  • Capable of providing hands-on computational chemistry and modeling support for drug discovery projects with strong skills leveraging state-of-the-art software and approaches (e.g. MOE, Schrodinger tools, cloud computing, FEP and AlphaFold2)
  • Proven leadership experience in driving teams towards common scientific goals and leading scientific drug discovery-focused activities
  • Strong communication and interpersonal skills and project team experience working collaboratively with scientists and engineers
  • Strong foundational understanding of Medicinal Chemistry and DMPK principles

Additional Experience Highly Desirable:
  • Cheminformatics and fluency with a variety of data analysis tools
  • Programming skills in Python and/or R
  • Utilization of AI technologies towards Computational Chemistry including areas of hit-finding through lead optimization
  • Experience and/or familiarity with utilization of AI technologies to drive drug discovery
  • Big picture thinking with an enthusiasm to drive computational methods forward to help develop novel medicines for patients

#LI-ONSITE
Pay Range:
In the U.S., the hiring pay range for fully qualified candidates is $202,500-$236,250 per year. The base pay actually offered will take into account internal equity and also may vary depending on the candidate's geographic region, job-related knowledge, skills, and experience among other factors.
Our employees come from different backgrounds, and we celebrate those differences. We are looking for the best candidates for our open roles, but do not expect applicants to meet every qualification in order to be considered. If you are excited about what you could accomplish at Cytokinetics and believe you can add value to our team, we would love to hear from you.
Please review our General Data Protection Regulation (GDPR) policy PRIOR to applying.
Our passion is anchored in robust scientific thinking, grounded in integrity and critical thinking. We keep the patient front and center in all we do - all actions and decisions are in service of the patient and their caregivers. We champion integrity, ethics, doing the right thing, and being our best selves.
Fraud Warning: How to Identify Impersonated Cytokinetics Job Postings and Offers
Recently, there have been fraudulent employment offers being sent to candidates on behalf of Cytokinetics. Please be advised that all legitimate offers from Cytokinetics will come directly from our official email domain (Cytokinetics.com) and will only be made after completing a formal interview process.
Here are some ways to check for authenticity:
  • We do not conduct job interviews through non-standard text messaging applications
  • We will never request personal information such as banking details until after an official offer has been accepted and verified
  • We will never request that you purchase equipment or other items when interviewing or hiring
  • If you are unsure about the authenticity of an offer, or if you receive any suspicious communication, please contact us directly at talentacquisition@cytokinetics.com

Please visit our website at: www.cytokinetics.com
Cytokinetics is an Equal Opportunity Employer

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