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Computational Structural Biology Jobs (NOW HIRING)

Partner with computational chemistry and machine learning groups to drive rational drug design and enhance proprietary computational platforms * Serve as a structural biology resource across the ...

Partner with computational chemistry and machine learning groups to drive rational drug design and enhance proprietary computational platforms * Serve as a structural biology resource across the ...

Preferred Qualifications, Competencies, and Experience 1. PhD or MD/PhD in neuroscience, computational neuroscience, bioengineering, structural biology, or a related quantitative discipline. 2. ...

Computational Protein Designer

San Francisco, CA ยท On-site

$24.25 - $29.50/hr

You have a PhD (or equivalent industry experience) in computational biology, bioinformatics, computer science, biochemistry, structural biology, physics, biophysics, bio/chem engineering, or a ...

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Computational Structural Biology information

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$14

$41

$70

How much do computational structural biology jobs pay per hour?

As of Jun 9, 2026, the average hourly pay for computational structural biology in the United States is $41.13, according to ZipRecruiter salary data. Most workers in this role earn between $30.05 and $48.56 per hour, depending on experience, location, and employer.

What are some common challenges faced by professionals in computational structural biology when collaborating with experimental scientists?

One common challenge is effectively communicating complex computational findings to experimental colleagues who may not be familiar with certain modeling techniques. Additionally, aligning computational predictions with experimental data can require iterative discussions to ensure that models are biologically relevant and experimentally testable. Successful collaboration often relies on building mutual understanding of each team's methodologies and limitations, which fosters productive interdisciplinary research.

What are the key skills and qualifications needed to thrive as a Computational Structural Biologist, and why are they important?

To thrive as a Computational Structural Biologist, you need a solid background in structural biology, molecular modeling, and bioinformatics, typically supported by a PhD or relevant advanced degree. Proficiency in programming languages (such as Python or R), molecular visualization tools (like PyMOL or Chimera), and experience with structural databases are commonly required. Strong analytical thinking, collaboration, and communication skills help you interpret complex data and work effectively within multidisciplinary teams. These competencies are crucial for advancing scientific understanding and developing novel therapeutics in the field of structural biology.

What is computational structural biology?

Computational structural biology is a field that uses computer-based methods and simulations to study the three-dimensional structures of biological molecules, such as proteins and nucleic acids. Researchers use computational tools to predict molecular structures, analyze their dynamics, and understand how they interact with other biomolecules. This approach complements experimental techniques like X-ray crystallography and cryo-electron microscopy, helping scientists gain insights into biological function and design drugs or therapies. The field integrates knowledge from biology, chemistry, physics, and computer science.
More about Computational Structural Biology jobs
What are the most commonly searched types of Computational Structural Biology jobs? The most popular types of Computational Structural Biology jobs are:
What states have the most Computational Structural Biology jobs? States with the most job openings for Computational Structural Biology jobs include:
Infographic showing various Computational Structural Biology job openings in the United States as of May 2026, with employment types broken down into 94% Full Time, and 6% Part Time. Highlights an 77% Physical, 2% Hybrid, and 21% Remote job distribution, with an average salary of $85,546 per year, or $41.1 per hour.

Senior Scientist, AI Computational Structural Biology

Bristol Myers Squibb

San Diego, CA โ€ข On-site

$97K - $132K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 5 days ago


Job description

Working with Us
Challenging. Meaningful. Life-changing. Those aren't words that are usually associated with a job. But working at Bristol Myers Squibb is anything but usual. Here, uniquely interesting work happens every day, in every department. From optimizing a production line to the latest breakthroughs in cell therapy, this is work that transforms the lives of patients, and the careers of those who do it. You'll get the chance to grow and thrive through opportunities uncommon in scale and scope, alongside high-achieving teams. Take your career farther than you thought possible.

Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives. Read more: careers.bms.com/working-with-us.

Senior Scientist, AI Structural Biology

When you join BMS, you are joining a diverse, high-achieving team united by a common mission.

The Informatics and Predictive Sciences (IPS) mission is to Pioneer, Partner and Predict to drive transformative insights for patient benefit. IPS conducts applied computational research in areas that include genomic, structural and molecular informatics, computational and systems biology, patient selection and translational biomarker research, and broader fields including knowledge science, epidemiology and machine learning-across the full lifecycle of drug discovery and development and across all therapeutic areas at BMS. We do this in close partnership with scientific and clinical experts in the field, both inside and outside the company. We perform innovative science to empower key data-driven decisions across a rich pipeline of next-generation medicines. In doing so, our work transforms the lives of patients, as well as our own lives and careers.

Here, you'll get the chance to grow and thrive through opportunities that are uncommon in scale and scope. You'll pursue innovative ideas while advancing professionally alongside some of the brightest minds in biopharma.

This is a unique opportunity to shape the next generation of AI-driven drug discovery at BMS, with direct impact on our induced proximity and targeted protein degradation programs. We are seeking a collaborative and highly innovative computational biologist with a strong background in AI co-folding modeling and deep understanding of protein structures to join our Predictive Structure and Function team.

They will work alongside scientists in Protein Homeostasis, Computational Sciences, Oncology and other teams in the Informatics and Predictive Sciences (IPS) department to discover novel target opportunities leveraging protein-protein interactions and apply learnings to other small and large molecule modalities.

Responsibilities:

  • Develop AI/ML models to predict structural biomolecular interactions for novel modalities leveraging protein-protein interactions.
  • Design innovative AI/ML approaches to predict protein cooperativity, affinity & other biological properties based on structures.
  • Develop co-folding models that incorporate structural and non-structural priors using combinations of public and proprietary BMS data.
  • Develop AI/ML models that leverage chemoproteomics data contributing to the generation of novel druggability hypotheses for hard-to-drug targets.
  • Author scientific reports, and present methods, results, and conclusions to publishable standard.
  • Contribute to the planning and execution of collaborative projects with leading academic and commercial research groups worldwide.

Basic Qualifications:

  • Bachelor's Degree 7+ years of academic / industry experience Or Master's Degree 5+ years of academic / industry experience
  • Or PhD 2+ years of academic / industry experience

Preferred Qualifications:

  • Ph.D. in Computational Biology, Bioinformatics, Structural Biology, Computer Science, Chemistry, or a closely related field, with a strong focus on AI/ML applications in drug discovery with 2+ years of post-doctoral experience in developing AI/ML approaches in university, pharma, or biotech settings, focusing on drug discovery.

Requirements - Technical Skills & Experience:

  • AI/ML & Deep Learning: Proven experience developing and deploying AI/ML models in biological or biochemical contexts, with proficiency in deep learning architectures for structural data (GNNs, equivariant neural networks, transformers, diffusion, flow matching) using Python and relevant libraries (PyTorch, JAX, RDKit, ESM/fair-esm, Biopython, etc.).
  • Structural Biology and Co-folding: Deep expertise in protein-protein interactions, protein folding, and biomolecular complex formation, with hands-on experience in structure prediction and co-folding frameworks (e.g. AlphaFold2, AlphaFold-Multimer, RoseTTAFold2, Boltz, Chai-1, NeuraPlexer, or equivalent).

Preferred Skills:

  • Multi-Omics Data Integration:Multi-Omics Data Integration:Multi-Omics Data Integration: Ability to integrate and analyze multimodal datasets-including structural, genomic, and proteomic data-from both public and proprietary sources, with experience developing algorithms to interpret genomics and proteomics data.
  • Chemoproteomics & induced proximity: Familiarity with chemoproteomics data for druggability and ligandability assessment is preferred. Experience with induced proximity modalities (for example, PROTACs, molecular glues, and bifunctional molecules) is appreciated but not required.

Requirements - Scientific & Collaborative Skills:

  • Strong problem-solving mindset with the ability to design novel computational approaches for challenging biological questions.
  • Experience contributing to or leading collaborative research projects with academic and/or industry partners and ability to translate scientific findings into actionable drug discovery insights.
  • Self-motivated with strong organizational skills and the ability to manage multiple projects simultaneously.
  • Demonstrated ability to presenting complex methods and results to diverse scientific audiences and author high-quality scientific reports and publications to publishable standard.

If you come across a role that intrigues you but doesn't perfectly line up with your resume, we encourage you to apply anyway. You could be one step away from work that will transform your life and career.

Compensation Overview:

Cambridge Crossing: $148,210 - $179,601 San Diego - CA - US: $141,770 - $171,794

The starting compensation range(s) for this role are listed above for a full-time employee (FTE) basis. Additional incentive cash and stock opportunities (based on eligibility) may be available. The starting pay rate takes into account characteristics of the job, such as required skills, where the job is performed, the employee's work schedule, job-related knowledge, and experience. Final, individual compensation will be decided based on demonstrated experience.
Eligibility for specific benefits listed on our careers site may vary based on the job and location. For more on benefits, please visit https://careers.bms.com/life-at-bms/.

Benefit offerings are subject to the terms and conditions of the applicable plans in effect at the time and may require enrollment. Our benefits include:

  • Health Coverage: Medical, pharmacy, dental, and vision care.

  • Wellbeing Support: Programs such as BMS Well-Being Account, BMS Living Life Better, and Employee Assistance Programs (EAP).

  • Financial Well-being and Protection: 401(k) plan, short- and long-term disability, life insurance, accident insurance, supplemental health insurance, business travel protection, personal liability protection, identity theft benefit, legal support, and survivor support.

Work-life benefits include:

Paid Time Off

  • US Exempt Employees: flexible time off (unlimited, with manager approval, 11 paid national holidays (not applicable to employees in Phoenix, AZ, Puerto Rico or Rayzebio employees)

  • Phoenix, AZ, Puerto Rico and Rayzebio Exempt, Non-Exempt, Hourly Employees: 160 hours annual paid vacation for new hires with manager approval, 11 national holidays, and 3 optional holidays

Based on eligibility*, additional time off for employees may include unlimited paid sick time, up to 2 paid volunteer days per year, summer hours flexibility, leaves of absence for medical, personal, parental, caregiver, bereavement, and military needs and an annual Global Shutdown between Christmas and New Years Day.

All global employees full and part-time who are actively employed at and paid directly by BMS at the end of the calendar year are eligible to take advantage of the Global Shutdown.

*Eligibility Disclosure: The summer hours program is for United States (U.S.) office-based employees due to the unique nature of their work. Summer hours are generally not available for field sales and manufacturing operations and may also be limited for the capability centers. Employees in remote-by-design or lab-based roles may be eligible for summer hours, depending on the nature of their work, and should discuss eligibility with their manager. Employees covered under a collective bargaining agreement should consult that document to determine if they are eligible. Contractors, leased workers and other service providers are not eligible to participate in the program.

Uniquely Interesting Work, Life-changing Careers
With a single vision as inspiring as "Transforming patients' lives through science ", every BMS employee plays an integral role in work that goes far beyond ordinary. Each of us is empowered to apply our individual talents and unique perspectives in a supportive culture, promoting global participation in clinical trials, while our shared values of passion, innovation, urgency, accountability, inclusion and integrity bring out the highest potential of each of our colleagues.

On-site Protocol

BMS has an occupancy structure that determines where an employee is required to conduct their work. This structure includes site-essential, site-by-design, field-based and remote-by-design jobs. The occupancy type that you are assigned is determined by the nature and responsibilities of your role:

Site-essential roles require 100% of shifts onsite at your assigned facility. Site-by-design roles may be eligible for a hybrid work model with at least 50% onsite at your assigned facility. For these roles, onsite presence is considered an essential job function and is critical to collaboration, innovation, productivity, and a positive Company culture. For field-based and remote-by-design roles the ability to physically travel to visit customers, patients or business partners and to attend meetings on behalf of BMS as directed is an essential job function.

Supporting People with Disabilities

BMS is dedicated to ensuring that people with disabilities can excel through a transparent recruitment process, reasonable workplace accommodations/adjustments and ongoing support in their roles. Applicants can request a reasonable workplace accommodation/adjustment prior to accepting a job offer. If you require reasonable accommodations/adjustments in completing this application, or in any part of the recruitment process, direct your inquiries to adastaffingsupport@bms.com. Visit careers.bms.com/eeo-accessibility to access our complete Equal Employment Opportunity statement.

Candidate Rights

BMS will consider for employment qualified applicants with arrest and conviction records, pursuant to applicable laws in your area.

If you live in or expect to work from Los Angeles County if hired for this position, please visit this page for important additional information:https://careers.bms.com/california-residents/

Data Protection

We will never request payments, financial information, or social security numbers during our application or recruitment process. Learn more about protecting yourself at https://careers.bms.com/fraud-protection.

Any data processed in connection with role applications will be treated in accordance with applicable data privacy policies and regulations.

If you believe that the job posting is missing information required by local law or incorrect in any way, please contact BMS at TAEnablement@bms.com. Please provide the Job Title and Requisition number so we can review. Communications related to your application should not be sent to this email and you will not receive a response. Inquiries related to the status of your application should be directed to Chat with Ripley.

R1603055 : Senior Scientist, AI Computational Structural Biology