Work collaboratively with data and drug discovery scientists to establish structural analytics ... experience in Silico Design Knowledge of computational structural biology and demonstrated ...
Work collaboratively with data and drug discovery scientists to establish structural analytics ... experience in Silico Design Knowledge of computational structural biology and demonstrated ...
Work collaboratively with data and drug discovery scientists to establish structural analytics ... Design • Knowledge of computational structural biology and demonstrated application of data ...
Work collaboratively with data and drug discovery scientists to establish structural analytics ... Design • Knowledge of computational structural biology and demonstrated application of data ...
Work collaboratively with data and drug discovery scientists to establish structural analytics ... Design • Knowledge of computational structural biology and demonstrated application of data ...
Work collaboratively with data and drug discovery scientists to establish structural analytics ... Design • Knowledge of computational structural biology and demonstrated application of data ...
Bioinformatics Research Scientist - AI Reviewer
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Research Scientist - AI Reviewer
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Research Scientist - AI Reviewer
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Research Scientist - AI Reviewer
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Cheminformatics Specialist - Remote
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Cheminformatics Specialist - Remote
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Cheminformatics Specialist - Remote
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Cheminformatics Specialist - Remote
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Software Engineer
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Software Engineer
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Software Engineer
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Bioinformatics Software Engineer
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
AI Training Specialist - Cheminformatics
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
AI Training Specialist - Cheminformatics
Alexandria, VA · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
AI Training Specialist - Cheminformatics
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
AI Training Specialist - Cheminformatics
Washington, DC · Remote
$80 - $110/hr
... design considerations. * Build and implement code-based benchmark tasks (e.g., terminal/CLI-based environments) that reflect realistic computational drug discovery scenarios. * Develop reproducible ...
Computational Biologist - AI Reviewer
Alexandria, VA · On-site +1
$90 - $120/hr
Computational Biology Expert Role Type: Contractor Location: Remote micro1 is engaging ... Demonstrated expertise in medicinal chemistry, including experience with drug discovery or design.
Computational Biologist - AI Reviewer
Alexandria, VA · On-site +1
$90 - $120/hr
Computational Biology Expert Role Type: Contractor Location: Remote micro1 is engaging ... Demonstrated expertise in medicinal chemistry, including experience with drug discovery or design.
Computational Biologist - AI Reviewer
Washington, DC · On-site +1
$90 - $120/hr
Computational Biology Expert Role Type: Contractor Location: Remote micro1 is engaging ... Demonstrated expertise in medicinal chemistry, including experience with drug discovery or design.
Computational Biologist - AI Reviewer
Washington, DC · On-site +1
$90 - $120/hr
Computational Biology Expert Role Type: Contractor Location: Remote micro1 is engaging ... Demonstrated expertise in medicinal chemistry, including experience with drug discovery or design.
Principal Computational Biologist
Gaithersburg, MD · On-site
$175K - $220K/yr
We sit at the intersection of AI and drug discovery, building platforms that help pharmaceutical ... Bring the scientific grounding to label design, a shared effort with the commercial and product ...
Quick apply
Principal Computational Biologist
Gaithersburg, MD · On-site
$175K - $220K/yr
We sit at the intersection of AI and drug discovery, building platforms that help pharmaceutical ... Bring the scientific grounding to label design, a shared effort with the commercial and product ...
AI Training Specialist - Life Sciences
Washington, DC · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
AI Training Specialist - Life Sciences
Washington, DC · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
AI Training Specialist - Life Sciences
Alexandria, VA · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
AI Training Specialist - Life Sciences
Alexandria, VA · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
Digital Chemistry Specialist - Remote
Washington, DC · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
Digital Chemistry Specialist - Remote
Washington, DC · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
Digital Chemistry Specialist - Remote
Alexandria, VA · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
Digital Chemistry Specialist - Remote
Alexandria, VA · Remote
$90 - $120/hr
... Computational Biology, Medicinal Chemistry, or a related discipline. * In-depth knowledge of medicinal chemistry concepts, including structure-activity relationships and drug design principles.
... silico design and testing of therapies for lung disease. As part of this effort to develop an ... Knowledge of molecular and cellular biology and drug development * Experience communicating ...
... silico design and testing of therapies for lung disease. As part of this effort to develop an ... Knowledge of molecular and cellular biology and drug development * Experience communicating ...
... silico design and testing of therapies for lung disease. As part of this effort to develop an ... Knowledge of molecular and cellular biology and drug development * Experience communicating ...
... silico design and testing of therapies for lung disease. As part of this effort to develop an ... Knowledge of molecular and cellular biology and drug development * Experience communicating ...
Computational Drug Design information
What is computational drug design?
Computational drug design is the use of computer-based methods and simulations to discover, develop, and optimize new pharmaceutical compounds. This field combines chemistry, biology, and computer science to model how potential drug molecules interact with biological targets, such as proteins or enzymes. Techniques like molecular docking, virtual screening, and molecular dynamics are commonly used to predict the efficacy and safety of new drugs before laboratory testing. By leveraging computational tools, researchers can significantly speed up the drug discovery process and reduce costs.
What are the key skills and qualifications needed to thrive as a computational drug design scientist?
To thrive as a Computational Drug Design scientist, you need a strong background in chemistry, biology, and computer science, typically supported by an advanced degree (e.g., PhD) in a related field. Proficiency with molecular modeling software, cheminformatics tools, and programming languages such as Python or R is essential, along with familiarity with databases like PDB and software such as Schrödinger or MOE. Strong analytical thinking, problem-solving abilities, and effective communication skills help translate computational findings into actionable insights for multidisciplinary teams. These competencies are crucial for efficiently identifying promising drug candidates and supporting data-driven decision-making in pharmaceutical research.
What are some common challenges faced in a computational drug design role, and how can they be addressed?
Professionals in Computational Drug Design often encounter challenges such as managing large and complex datasets, integrating diverse software tools, and ensuring accurate modeling of biological systems. Addressing these challenges typically involves continuous learning to stay updated with the latest algorithms and software, collaborating closely with experimental scientists, and developing strong data management practices. Effective communication and teamwork are also essential, as the role frequently involves working in multidisciplinary teams to translate computational findings into actionable experimental strategies.
What is the difference between Computational Drug Design vs Medicinal Chemist?
| Aspect | Computational Drug Design | Medicinal Chemist |
|---|---|---|
| Required Credentials | Degree in Chemistry, Bioinformatics, or related field; strong computational skills | Degree in Chemistry, Organic Chemistry, or related field; laboratory experience |
| Work Environment | Research labs, pharmaceutical companies, biotech firms; primarily computer-based | Laboratories, pharmaceutical companies; hands-on chemical synthesis and analysis |
| Industry Usage | Drug discovery, virtual screening, molecular modeling |
Computational Drug Design focuses on using computer simulations and modeling to identify potential drug candidates, while Medicinal Chemists are involved in synthesizing and testing chemical compounds in the lab. Both roles are essential in the drug development process but differ in their methods and work environments.
What are popular job titles related to Computational Drug Design jobs in Washington?
For Computational Drug Design jobs in Washington, the most frequently searched job titles are:
What job categories do people searching Computational Drug Design jobs in Washington look for?
The top searched job categories for Computational Drug Design jobs in Washington are:
What cities in Washington are hiring for Computational Drug Design jobs?
Cities in Washington with the most Computational Drug Design job openings:
AstraZeneca rating
8.4
Based on 45 frontline employees who took The Breakroom Quiz
22nd of 86 rated pharmaceutical
Job description
Job Description
Role Description
Do you have expertise in, and passion for data science and AI? Would you like to play a pivotal role that impacts the delivery of novel biologics drugs for oncology, respiratory and cardiovascular diseases in a company that follows the science and turns ideas into life changing medicines? Then AstraZeneca might be for you!
The Biologics Engineering team is responsible for the discovery and optimisation of biological candidate drugs to support all therapy area drug discovery pipelines and for the development of in-house biologics discovery platforms and novel drug modalities to support future drug discovery efforts.
Central to this effort are the Biologics Augmented Biologics Design team who are building on existing technologies to advance learning from the large and complex data sets we generate and excitingly the team is growing to meet this challenge. This role provides the opportunity for a talented and motivated computational structural biologist.
Typical Accountabilities
Lead the in silico support on pipeline therapeutic projects in collaboration with AZ stakeholders
Work collaboratively with data and drug discovery scientists to establish structural analytics workflows for biologics discovery
Contribute to the development of an end-to-end data analysis capability within Biologics Engineering team as part of a cross-functional team
Drive innovative structural, generative & machine learning methods for the design and optimisation of biologic therapeutics
Participate in strategic external collaborations
Demonstrate effective communication to translate complex concepts to non-experts in internal and external scientific meetings
Must Have
PhD in relevant field (e.g. Structural Biology, Computer Science, Bioinformatics, Physics and Mathematics)and 2 years experience in Silico Design
Knowledge of computational structural biology and demonstrated application of data analysis methods
Experience with structural modelling platforms (e.g. Schrodinger, Rosetta etc)
Familiarity with antibody discovery & optimisation, protein structures
Skilled in applying generative AI, Machine learning or deep learning to design and optimise proteins
Strong, professional communication skills and excellent attention to detail, capable of developing good working relationships with diverse individuals
Experience working within a team environment
Acts with integrity and does the right thing
Desireable
Knowledge of FAIR data principles
Experience with the analysis of large structural, sequence and experimental datasets.
Date Posted
27-Jul-2026Closing Date
20-Aug-2026Our mission is to build an inclusive environment where equal employment opportunities are available to all applicants and employees. In furtherance of that mission, we welcome and consider applications from all qualified candidates, regardless of their protected characteristics. If you have a disability or special need that requires accommodation, please complete the corresponding section in the application form.
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