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Computational Structural Biology Jobs (NOW HIRING)

Guidehouse

Biologist

Bethesda, MD

$85K - $141K/yr

D. in Structural Biology, Biochemistry, Biophysics, Computational Biology, or a closely related biomedical field; OR Master's degree with a minimum of FOUR (4) years of experience in structural ...

Guidehouse

Biologist

Bethesda, MD · On-site

$85K - $141K/yr

D. in Structural Biology, Biochemistry, Biophysics, Computational Biology, or a closely related biomedical field; OR Master's degree with a minimum of FOUR (4) years of experience in structural ...

Battelle

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 ...

UNC-Chapel Hill

Open Rank

Chapel Hill, NC · On-site

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

Latent Labs

Computational Protein Designer

San Francisco, CA · 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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How much do computational structural biology jobs pay per hour?

As of Jul 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 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.
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Computational Structural Biology jobs near you
Scientist - Ensemble Structural Informatics

Scientist - Ensemble Structural Informatics

Astera

Emeryville, CA • On-site

$100K - $180K/yr

Full-time

Posted 28 days ago

Job description

Position Summary
The diffUSE Project is seeking a Scientist to join a multidisciplinary team to help build the infrastructure needed to host and distribute dynamic structural biology data. The diffUSE Project is an ambitious initiative designed to advance our understanding of protein dynamics by building the experimental methods, computational models, and global infrastructure needed to capture molecular motion at scale. Our goal is to establish dynamic structural biology as a foundational pillar of modern science, as transformative and indispensable as static structures have been.
This role will lead the development of standards that empower the structural biology community to deposit, validate, search, and leverage dynamic structural information at scale. A core focus will be establishing validation metrics and forward models for X-ray crystallography, cryo-EM, and related techniques, providing rigorous frameworks to assess the quality of structural models, distinguish geometric accuracy from fit to experimental data, and ensure scientific trustworthiness across diverse methodologies. This includes developing cross-modality validation metrics with a particular emphasis on ensemble and multistate models, where understanding which experimental data to validate against (i.e. raw images versus processed maps) and how such evaluations should be standardized and scaled within a database setting are open and consequential challenges.
The position involves architecting the foundational infrastructure alongside dedicated software engineers. Duties will also include building and socializing community standards to make dynamic structural biology data as accessible, reliable, and scientifically impactful as the Protein Data Bank has been for static structures. Your work will be central to evolving alongside algorithmic advances while upholding the highest standards of scientific rigor and reproducibility.
This is a full-time position within the diffUSE Project, in-person at Radial, a division of the Astera Institute.
Key Responsibilities
  • Oversee development of ensemble-aware validation frameworks that assess fit-to-data, physical realism, and uncertainty across diverse structural representations
  • Identify and prioritize technical challenges, from data representation to validation frameworks
  • Guide the creation of data deposition, search, and retrieval tools that allow users to interrogate and interpret structural heterogeneity at scale
  • Help coordinate with stakeholders to ensure interoperability and adoption
  • Work with software developers, data engineers, and user experience designers to translate scientific requirements into robust technical solutions

Required Skills and Qualifications
  • Ph.D. in structural biology, biophysics, computational biology, or related field
  • Demonstrated expertise in structural biology methods
  • Deep understanding of structural heterogeneity and dynamics in biomolecular systems
  • Experience with data standards, metadata frameworks, or scientific database development
  • Strong collaborative skills and ability to build consensus across diverse scientific communities

Preferred Skills and Experience
  • Experience with PDB, EMDB, BMRB, or other structural biology databases
  • Knowledge of validation methods for experimental and computational structural data
  • Familiarity with machine learning workflows and ML-ready data formats
  • Background in model uncertainty quantification or ensemble refinement methods
  • Understanding of software development practices and data engineering principles
  • Track record of working at the interface of methods development and infrastructure

Compensation
The posted salary range is based on location in the Bay Area. The successful candidate will receive a competitive compensation package, commensurate with their experience and location.
  • Benefits summary

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