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Data Science Managers

Piscataway, NJ · On-site

We are seeking an expert in computational and/or experimental structural biology with an outstanding record of accomplishment and excellent future promise working at the interface between biology ...

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Computational Biologist

Columbus, OH · On-site

S. plus 10 years of experience in biochemistry, biophysics, computational biology, structural biology, or a closely related field * Deep expertise in computational protein engineering, including AI ...

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How much do computational structural biology jobs pay per hour?

As of Sep 7, 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 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.

What are the key skills and qualifications needed to thrive as a computational structural biologist?

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 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.
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Computational Structural Biology jobs near you
Infographic showing various Computational Structural Biology job openings in the United States as of August 2026, with employment types broken down into 92% Full Time, 5% Part Time, 2% Contract, and 1% Nights. Highlights an 90% Physical, 3% Hybrid, and 7% Remote job distribution, with an average salary of $85,546 per year, or $41.1 per hour.

Senior / Principal Scientist, Structural Biology - Target Druggability & Structure-Based Drug Design

Schrödinger

Framingham, MA • On-site

$120K - $190K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 27 days ago

Job description

Schrödinger seeks a Senior or Principal Scientist in Structural Biology (Target Druggability and Structure-Based Drug Design) to join us in our mission to transform the discovery of therapeutics and materials!
Schrödinger has pioneered a physics-based software platform that enables discovery of high-quality, novel molecules for drug development and materials applications more rapidly and at lower cost compared to traditional methods. The software platform is used by biopharmaceutical and industrial companies, academic institutions, and government laboratories around the world. Our multidisciplinary drug discovery team also leverages the software platform to advance collaborative programs and its own pipeline of novel therapeutics to address unmet medical needs.
As a member of our Structural Biology and Target Enablement team in our Therapeutics Group, you'll partner with Molecular Pharmacologists, Biologists, Medicinal Chemists, and Computational Chemists to define target tractability strategies, identify and validate novel and cryptic binding sites, and design and supervise experimental campaigns to solve unprecedented structures that unlock previously intractable targets. Sitting at the interface of computation and experiment, you'll be as comfortable proposing in silico-predicted binding site hypotheses as you are designing and executing the experimental structural biology strategies to test them.
Who will love this job:
  • A scientist with a track record of success in assessing and expanding oral drug tractability for challenging and undrugged targets
  • A structural and computational biology expert who's familiar with Schrödinger's platform (Glide, FEP+, BioLuminate, Prime, etc.) or comparable structure-based design software
  • A veteran of computational-experimental hybrid work in biotech, pharma, or an SBDD-focused software company
  • A researcher who has worked on modality-switch programs (e.g., biologic-to-small-molecule or PROTAC/molecular glue strategies)
  • An excellent scientific communicator who has presented target tractability assessments to senior stakeholders and defended hypotheses under scientific scrutiny

What you'll do:
  • Define druggability hypotheses for difficult-to-drug targets by integrating structural, computational, biophysical, and pharmacological evidence
  • Apply and advance computational methods, including AI/ML approaches, for structure prediction and refinement, small-molecule binding site identification (including cryptic and transient pockets), pocket druggability scoring, and conformational sampling of target ensembles
  • Translate structural and computational insights into actionable hypotheses for medicinal chemistry and biology teams, proposing specific experiments (biophysical, structural, or computational) to test and de-risk emerging druggability hypotheses
  • Evaluate and integrate emerging methods (e.g., generative structure prediction, cryptic pocket detection, MD-based ensemble docking, AI-based binding site/ligandability prediction) into practical workflows
  • Present target tractability assessments to project teams, portfolio review committees, and leadership, communicating complex structural/computational rationale clearly to non-specialist audiences
  • Lead experimental structural biology efforts on active target enablement and drug discovery programs, managing work at external CROs, collaborating with our internal Structural Biology team, and/or directly performing hands-on experiments at our internal laboratory
  • Contribute to Schrödinger's broader platform strategy, feeding practical, target-tractability-driven requirements back into internal software and methods development

What you should have:
  • PhD in Structural Biology, Biophysics, or a related discipline
  • Deep, hands-on expertise in structure-based drug design, including practical experience with cryptic/transient binding site identification and pocket druggability assessment
  • Working fluency in modern computational structural biology methods, such as AI-based structure prediction, MD-based conformational sampling, binding site/pocket detection algorithms, and structure refinement
  • Direct experience designing, executing, and interpreting cryo-EM and/or X-ray crystallography experiments, including strategies for capturing difficult, dynamic, or novel structural states

Pay and perks:
Schrödinger understands it's people that make a company great. Because of this, we're prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. We have a company culture that is relaxed but engaged, and over a month of paid vacation time.
Estimated base salary range: $120,000 - $190,000. Actual compensation package is dependent on a number of factors, including, for example, experience, education, degrees held, market data, and business needs. If you have any questions regarding the compensation for this role, do not hesitate to reach out to a member of our Strategic Growth team.
Sound exciting? Apply today and join us!
As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, disability, national origin, alienage or citizenship status, marital status, partnership status, caregiver status, sexual and reproductive health decisions, gender identity or expression, sexual orientation, or any other protected characteristic. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.

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