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Cold Spring Harbor Laboratory

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PhD Position in AI-Driven Click Chemistry and Covalent Drug Discovery at Cold Spring Harbor Laboratory Cold Spring Harbor Laboratory in United States

Degree Level

PhD

Field of study

Computer Science

Funding

Full funding available
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Country

United States

University

Cold Spring Harbor Laboratory

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Biology
Computational Chemistry
Molecular Modeling
Chemical Synthesis
Chemical Biology
Click Chemistry
Virtual Screening
Machine learning

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About this position

PhD position for Fall 2027 at Cold Spring Harbor Laboratory in the Moses Lab, focused on AI-driven click chemistry and covalent drug discovery through the CSHL BioAI PhD Program.

The project aims to develop machine learning methods to accelerate the discovery of click chemistry electrophiles for chemical biology and targeted covalent drugs. Research will combine predictive modeling of reactivity and selectivity, virtual screening, synthetic chemistry, and biological evaluation in an iterative design-build-test framework. Specific chemistry areas mentioned include SuFEx and fluoride exchange chemistries.

Applicants should have a Master's degree in Chemistry, Chemical Biology, Biochemistry, Computational Chemistry, Biology, or a related field, along with a strong quantitative and analytical background. Interest in AI, computational chemistry, chemical biology, molecular modelling, or drug discovery is expected; programming experience in Python, ML, or molecular modelling is desirable but not essential.

The opportunity offers interdisciplinary training across chemistry, biology, and AI, with the chance to build both computational and experimental expertise in a collaborative environment focused on new molecular tools and first-in-class medicines. To apply, send a CV to Prof. John E. Moses at [email protected].

No deadline, stipend, tuition, or fee-waiver information is stated in the post.

Funding details

Full funding including tuition fees and living expenses is available for this position. The scholarship covers all educational costs and provides a monthly stipend.

How to apply

Please submit your application including a cover letter, CV, academic transcripts, and contact information for two references. Applications should be sent via the online portal before the deadline.

More information can be found here

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