Intelligent Molecular Design & System Lab
We develop cutting-edge deep learning frameworks and multiscale simulations to accelerate structure-based drug design and structural biology.
Research Highlights
Pioneering next-generation therapeutics through AI and molecular systems
AI-Driven Drug Design
Developing generative AI models to explore vast chemical spaces and optimize molecular entities with high binding affinity and ADMET profiles.
Molecular Dynamics
Simulating complex biomolecular systems to understand protein-ligand interactions at the atomic level using multiscale approaches.
Biomarker Discovery
Elucidating functional mechanisms of critical biomarkers, with a strong focus on the cardiac Troponin complex and cardiomyopathies.
About Us
Learn about our research philosophy and the people behind our work
Lab Philosophy
At IMDS Lab, we believe in the power of computational approaches to unravel the complexities of biological systems. Our mission is to bridge the gap between theoretical knowledge and practical applications in drug discovery and structural biology.
Research Areas
Our research bridges the gap between state-of-the-art computational algorithms and complex biological systems.
Generative AI for de novo Protein & Drug Design
We build diffusion models and GNNs to design novel therapeutic proteins and small molecules, ensuring high binding affinity and synthesizability.
Multiscale Molecular Dynamics Simulation
By combining coarse-grained and all-atom MD simulations, we investigate large-scale conformational changes in biological macromolecules over microsecond timescales.
Structural Bioinformatics: The Troponin Complex
Applying structure prediction and dynamics analysis to uncover the mechanistic role of Troponin mutations in cardiomyopathies, paving the way for precision medicine.
Publications
Recent research publications from our lab
Deep learning approaches for protein structure prediction and drug discovery
Kim, J., Lee, S., Park, H.
Multiscale molecular dynamics simulations reveal troponin complex dynamics in cardiomyopathies
Park, S., Kim, H., Lee, J.
Generative adversarial networks for novel drug candidate generation
Lee, M., Choi, Y., Kim, D.
Lab Members
Meet our talented team of researchers and students
News & Updates
Latest news and achievements from our lab
IMDS Lab receives prestigious research grant
Our lab has been awarded a major research grant for AI-driven drug discovery projects.
New publication in Nature Computational Science
Our latest research on deep learning for protein structure prediction has been published.
IMDS Lab presents at international conference
Team members presented our latest findings at the International Conference on Computational Biology.
Join Our Team
We're always looking for talented researchers and students to join our lab
Graduate Students
Join our Ph.D. or M.S. programs in Biotechnology and work on cutting-edge research projects.
- • Strong background in biology or computer science
- • Interest in computational biology
- • Programming skills preferred
Postdocs
We welcome postdoctoral researchers with expertise in computational biology, machine learning, or related fields.
- • Ph.D. in relevant field
- • Strong publication record
- • Collaborative spirit
Collaborations
We are open to collaborations with industry partners and academic institutions for joint research projects.
- • Industry partnerships
- • Academic collaborations
- • Joint grant applications
Contact Us
Get in touch with us for collaborations, inquiries, or just to say hello
Get in Touch
Address
Yonsei University, Future Campus
Department of Biotechnology
Phone
+82-2-2123-1234