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Computational Drug Discovery Design Jobs (NOW HIRING)

Design screening workflows, ensure data integrity, and resolve technical issues efficiently. • ... computational and therapeutic teams to align experimental outputs with platform requirements. • ...

Head of Discovery

Manhattan, NY · On-site

$100 - $150/hr

You have experience with AI‑driven drug discovery or computational drug design tools * You have experience managing CRO relationships for synthesis and biological testing * You have experience ...

Analyze and interpret small-molecule and drug discovery datasets using advanced computational ... experimental design considerations. * Build and implement code-based benchmark tasks (e.g ...

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Computational Drug Discovery Design information

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How much do computational drug discovery design jobs pay per hour?

As of Aug 20, 2026, the average hourly pay for computational drug discovery design in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

What is computational drug discovery design?

Computational drug discovery design is the use of computer-based tools and models to identify and optimize potential drug candidates before laboratory testing. It involves simulating molecular interactions, predicting drug-target binding, and analyzing large datasets to accelerate the drug development process. This approach helps researchers save time and resources by focusing experiments on the most promising compounds, ultimately increasing the efficiency and success rate of drug discovery.

What are the key skills and qualifications needed to thrive in computational drug discovery design?

To excel in Computational Drug Discovery Design, you need a solid background in computational chemistry, molecular modeling, and bioinformatics, typically supported by an advanced degree in chemistry, biology, or a related field. Expertise in tools such as molecular docking software (e.g., AutoDock, Schrödinger), programming languages (e.g., Python, R), and familiarity with drug databases are highly valuable. Strong problem-solving skills, attention to detail, and the ability to collaborate across multidisciplinary teams distinguish top performers in this field. These skills are essential for efficiently identifying promising drug candidates and accelerating the drug development process.

What are some common challenges faced by professionals in computational drug discovery design, and how can they be addressed?

A key challenge in computational drug discovery design is managing the complexity and variability of biological data, which can affect the accuracy of predictive models. Professionals often need to validate their computational findings with experimental results, requiring strong collaboration with laboratory scientists. Staying updated with rapidly evolving software tools and algorithms is also essential. To address these challenges, ongoing professional development, interdisciplinary teamwork, and regular communication between computational and experimental teams are highly recommended.

What is the difference between Computational Drug Discovery Design vs Computational Chemist?

AspectComputational Drug Discovery DesignComputational Chemist
CredentialsDegree in chemistry, bioinformatics, or related fields; experience with drug discovery toolsDegree in chemistry, computational chemistry, or related fields; strong programming skills
Work EnvironmentPharmaceutical or biotech industry, research labsResearch labs, academia, industry
Industry UsageFocused on designing new drug candidates and predicting their behaviorAnalyzing chemical structures, modeling molecules, and understanding chemical properties

Computational Drug Discovery Design primarily focuses on developing new drug candidates using computational methods, while Computational Chemist applies similar skills to analyze chemical structures and properties. Both roles require strong chemistry and computational skills but differ in their specific objectives within the drug development process.

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Infographic showing various Computational Drug Discovery Design job openings in the United States as of August 2026, with employment types broken down into 100% Full Time. Highlights an 100% In-person job distribution, with an average salary of $114,249 per year, or $54.9 per hour.

Scientist, Drug Discovery

Transcripta Bio

Palo Alto, CA • On-site

Full-time

Posted 27 days ago


Job description

About Transcripta Bio
Transcripta Bio is a preclinical-stage AI drug discovery company pioneering a patient-first approach to therapeutics. Headquartered in Palo Alto, CA, we have built a proprietary closed-loop discovery engine - comprising our Disease Signature Atlas, Drug-Gene Atlas, and Conductor AI platform - that integrates single-cell patient transcriptomics, causal human genetics, and pre-validated chemistry to identify and advance drug candidates with a structural edge over conventional approaches.
We are looking for a Scientist to become a cornerstone of our drug discovery operations. You will own key areas of our experimental platform - from cell culture and high-throughput drug screening to the downstream assays that validate hits, interrogate mechanisms of action, and guide program decisions. This is a hands-on role with real scientific ownership, where your work directly powers our discovery engine.
What you'll do
• Maintain, expand, and bank disease-relevant human cell lines, including induced pluripotent stem cells (iPSCs) and iPSC-derived cell types, while ensuring consistent quality and reproducibility.
• Lead and support high-throughput small molecule drug screening campaigns utilizing automated liquid handlers and plate-based platforms. Design screening workflows, ensure data integrity, and resolve technical issues efficiently.
• Design and conduct downstream validation experiments to confirm screening hits and interrogate drug mechanisms of action, utilizing high-content imaging, qPCR, immunocytochemistry, Western blot, ELISA, and quantitative protein assays.
• Develop and optimize cell-based assays for disease-relevant biological readouts, collaborating with computational and therapeutic teams to align experimental outputs with platform requirements.
• Translate complex datasets into clear scientific narratives. Present findings at internal meetings and contribute to reports, publications, and external communications.
• Maintain detailed records in the electronic laboratory notebook (ELN) and contribute to SOPs, protocol documentation, and best practice development as the organization scales.
• Serve as a technical resource for junior team members, supporting a culture of scientific excellence.
• Support lab operations, including reagent preparation, equipment maintenance, and vendor coordination.
Qualifications
Required
• PhD in Cell Biology, Biochemistry, Molecular Biology, Pharmacology, or a closely related field with 3-5+ years of industry or postdoctoral experience; or MS with 6+ years of relevant industry experience.
• Demonstrated expertise in iPSC maintenance, differentiation, and quality assessment. Experience with primary human cells or disease-relevant iPSC-derived cell types is strongly preferred.
• Hands-on experience running or supporting high-throughput drug screening workflows, including familiarity with liquid handling automation (e.g., Hamilton, Tecan, Beckman, or equivalent).
• Relevant experience in small molecule drug discovery, including interrogating drug mechanism of action in cellular models.
• Proficiency in downstream validation techniques, including high-content imaging and analysis (e.g., Opera Phenix, ImageXpress), immunocytochemistry, Western blot, and quantitative protein assays (ELISA, MSD, or equivalent).
• Strong experimental design instincts: ability to independently scope assays, troubleshoot, and interpret data with scientific rigor and speed.
• Excellent organizational skills and high standards of documentation; comfortable working in an ELN-based environment.
• Collaborative and communicative - you thrive in cross-functional teams and can translate bench-level findings for computational colleagues and leadership alike.
• Thrives in a fast-paced, resource-constrained startup environment where adaptability and initiative are essential.
Preferred
• Experience with functional genomics approaches.
• Familiarity with transcriptomics methods (bulk or single-cell RNA-seq) or experience working with bioinformatics teams to interpret experimental data.
• Basic data analysis skills using Python, R, or similar tools.