Postdoctoral Fellowships: AIDD/CADD
Lab: Dr. Fan's Lab (www.cimrbj.ac.cn/en/channel/2013512987888979968.html)
Position Type: Full-time Postdoctoral Researcher (Multiple Openings)
The Chinese Institutes for Medical Research (CIMR) is a pioneering, flagship research institute in Beijing, integrating cutting-edge fundamental science with clinical translation across a network of top-tier medical centers.
The Fan's Lab at CIMR (Beijing) integrates advanced machine learning with high-precision physical simulations to accelerate molecular therapeutics and enzyme engineering. Our research focuses on the molecular mechanisms, allosteric regulation, and ligand spaces of high-value targets (including GPCRs, transporters, and kinases) and the rational design of functional biocatalysts (e.g., fluorinases).
Our group is primarily computational, but uniquely operates an internal wetlab for rapid experimental validation, alongside a premium network of clinical and pharmaceutical collaborators. The PI has a proven track record of top-tier publications (Science Advances, Nat Comm, PNAS, ACS Catalysis) and global patent applications. We are seeking two outstanding Postdoctoral Researchers to lead separate, complementary tracks:
Track A: AI-Driven Drug Discovery (AIDD) Specialist
Role & Project Focus: You will work on deep learning and machine learning method development to accelerate drug discovery pipelines. Working directly at the dry/wet-lab interface, you will define actionable modeling questions, prioritize compounds, and iterate through design-test-analyze cycles. Initial work focuses on hit discovery, multi-target modeling, and chemical space optimization across multiple therapeutic areas.
Qualifications:
1) Ph.D. in Machine Learning, Computer Science, Computational Chemistry, Cheminformatics, Bioinformatics, or a related quantitative discipline.
2) Strong track record in ML development (peer-reviewed publications or substantial open-source software contributions).
3) Expertise in deep learning workflows for molecular/target modeling (e.g., GNNs, diffusion, contrastive learning) or large-scale data curation and virtual screening pipelines.
4) Robust software engineering practices (Linux, PyTorch/TensorFlow). 5) Excellent scientific communication skills in English.
Track B: Computer-Aided Drug Development (CADD) Specialist
Role & Project Focus: You will work on the development and application of structure-based, physics-driven methodologies to decipher protein-ligand interactions and map molecular mechanisms at superfamily and genome scales. You will investigate structural dynamics, activation pathways, and drug-resistance phenotypes of GPCRs, transporters, and kinases, as well as drive in silico enzyme engineering.
Qualifications:
1) Ph.D. in Computational Biology, Computational Chemistry, Biophysics, Pharmaceutical Sciences, or a related field.
2) Hands-on expertise in advanced computational structural biology methods, including protein structure prediction/modeling, structure-based virtual screening, molecular docking, and advanced molecular dynamics (MD) simulations (unbiased and enhanced sampling)
3) Strong programming/scripting proficiency (Python, C/C++, Fortran, or Perl) and familiarity with standard simulation suites (e.g., GROMACS, MODELLER, DOCK, Schrodinger).
4) Excellent scientific communication skills in English.
Please submit your Cover Letter, a detailed CV (including publication and GitHub links), and contact info for 2-3 references in English to fanhao^^cimrbj.ac.cn. Review of applications will begin immediately and continue until the positions are filled. Start dates are flexible.
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Job Type: Full-time
Work Location: In person
