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Computational Structural Biology Jobs (NOW HIRING)

Output, Inc

Head of Biology

New York, NY · On-site

You have a PhD in computational biology, biophysics, structural biology, molecular biology, or a related biological field with 3+ years of post-doctoral or industry research experience * You have ...

Namely

Head of Biology

Manhattan, NY · On-site

$90 - $120/hr

You have a PhD in computational biology, biophysics, structural biology, molecular biology, or a related biological field with 3+ years of post-doctoral or industry research experience * You have ...

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Computational Structural Biology information

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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 AI Scientist - Drug Discovery & Computational Biology (Hybrid - Boston, MA, USA)

OMG Technologies

Boston, MA • Hybrid

$75/hr

Contractor

Re-posted yesterday

Job description

Senior AI Scientist - Drug Discovery & Computational Biology (Hybrid - Boston, MA, USA)
We are looking to hire a candidate with the mentioned skill sets and experience for one of our clients within the Healthcare Industry. This is a 6+ month contracting role, with potential for extension.This is a HYBRID role.


Key Responsibilities:


We are seeking a highly skilled professional with deep expertise in applying Artificial Intelligence and Machine Learning to drug discovery and development. The ideal candidate will have experience in Drug Discovery & Computational Biology (Must).

The candidate should demonstrate a strong track record of leveraging advanced computational approaches to accelerate therapeutic discovery and possess the ability to collaborate effectively with multidisciplinary research and development teams.


Required Skills/Qualifications:


  • Deep expertise in applying Artificial Intelligence and Machine Learning to drug discovery and development.
  • Experience in Drug Discovery & Computational Biology (Must).
  • AI and machine learning methodologies for drug discovery, including predictive modeling, lead optimization, and translational research applications.
  • Graph machine learning techniques for biological networks, molecular property prediction, target identification, and knowledge graph-based discovery.
  • Virtual cell screening and AI-driven target discovery platforms, with particular focus on rare disease research and therapeutic innovation.
  • AI-driven molecular design for small molecules and biologics (Abs/VHH), including toxicity prediction, off-target assessment, developability analysis, and candidate optimization.
  • Structural biology, including protein structure analysis, molecular interactions, computational modeling, and integration of structural data into drug discovery workflows.
  • Healthcare Domain experience (Must).
  • Ability to collaborate effectively with multidisciplinary research and development teams.


Other Job Details:


  • Job Type:C2C or W2.
  • Duration:6+ months with high possibility of extension.
  • Pay Rate:$75/hr. on C2C or $65/hr. on W2.
  • Location:Hybrid - Boston, MA, USA.
  • Interviews:Video interviews.
  • Docs required:ID proof will be required.

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