Korea Advanced Institute of Science and Technology
Professor
Office Chemistry Building E6-4, #4106, Department of Chemistry, KAIST
Phone +82-42-350-2846 (office) / 2886 & 5846 (labs)
Hompage https://ai-cred.web.app
Hompage https://hslee.kaist.ac.kr
E-mail hee-seung_lee@kaist.ac.kr
RESEARCH INTERESTS
Our research aims to design and construct peptidic foldamers with well-defined secondary structures and chiral environments for applications in molecular recognition, catalysis, and self-assembly. By mimicking structural motifs of natural biomolecules, we investigate how foldamers can be programmed to form higher-order architectures with controlled anisotropy ("foldectures") and cooperative function.
We are also exploring the integration of foldamer-based scaffolds into Al-assisted drug discovery workflows to develop new modalities for targeting challenging biological interfaces. Our current efforts include building a molecular design platform based on self-assembling foldamers to enable structure-guided generation of therapeutic candidates with novel mechanisms of action.
MAJOR RESEARCH ACHIEVEMENTS
• Introduced the concept of "foldecture," referring to anisotropic supramolecular architectures constructed from peptidic foldamers through directional self-assembly.
• Established methods to control the handedness, curvature, and dimensionality of foldamer assemblies, enabling programmable construction of chiral channels and networks.
• Demonstrated the cooperative behavior of foldamer assemblies in chiral molecular recognition and catalysis.
• Developed metal-foldamer networks that integrate coordination chemistry with peptidic foldamers, offering tunable platforms for molecular confinement and function.
• Initiated the application of foldamer-based systems in Al-assisted new drug discovery pipelines, providing novel chemical scaffolds for exploring undruggable or low-druggability targets.