Postdoctoral Research Associate in Computational Chemistry and AI/ML for Next-Generation Medicines University of Strathclyde in United Kingdom

Postdoctoral Scientist opportunity in biophysics , computational chemistry , biomolecular NMR , AI/ML , and drug discovery at Eli Lilly and Company in Indianapolis, Indiana, United States . Shashank Pant and Kyle East are hiring a postdoc to work at the interface of experimental biophysics and computational chemistry. The project focuses on building AI/ML and computational tools that combine experimental data with advanced simulation to identify novel ligand pockets and support real drug discove...

PhD opening in Computational Chemistry at the Faculty of Chemistry, Institute for Physical Chemistry , University of Duisburg-Essen (Essen, Germany). The position is in the research group of Prof. Dr. Erna K. Wieduwilt and focuses on QM/MM calculations , metalloenzymes , machine learning , and the computational study of enzymatic reactions relevant to biomass and plastic degradation . The project is titled “Boosting Enzymatic Plastic Recycling via Future Computing” and is part of the NRW Return ...

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...

Microsoft Research is hiring a postdoc focused on very large-scale protein modeling , free energy calculation , and protein-ligand / protein-membrane interaction modeling . The role is aimed at developing the next generation of AI models for biomolecular dynamics and function . The work described includes designing, executing, and analyzing large-scale molecular dynamics (MD) simulations, including protein-ligand systems, membrane protein systems, and free energy perturbation (FEP) studies. This...

Postdoc opening in generative AI for biology , with related interests in graph neural networks , topological deep learning , topology , machine learning , and drug discovery . The post is shared by Alessandro Luongo, who points to an openings page on his website. The opportunity appears to be a research position rather than a scholarship or studentship. No country, institution name, funding package, deadline, or eligibility details are stated in the post itself. Interested candidates should use ...