Publications

Joongwon Lee, Wonho Zhung, Jisu Seo, Woo Youn Kim* (2025). BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design. Adv. Sci.

Jiyeon Han, Wonho Zhung, Insoo Jang, Joongwon Lee, Min Ji Kang, Timothy Dain Lee, Seung Jun Kwack, Kyu-Bong Kim, Daehee Hwang, Byungwook Lee, Hyung Sik Kim*, Woo Youn Kim*, Sanghyuk Lee* (2025). HepatoToxicity Portal (HTP): an integrated database of drug-induced hepatotoxicity knowledgebase and graph neural network-based prediction model. J. Cheminform.

Wonho Zhung, Joongwon Lee, Woo Youn Kim* (2024). NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket. arXiv.

Hyeongwoo Kim, Seokhyun Moon, Wonho Zhung, Jaechang Lim, Woo Youn Kim* (2024). DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties. arXiv.

Wonho Zhung, Hyeongwoo Kim, Woo Youn Kim* (2024). 3D Molecular Generative Framework for Interaction-guided Drug Design. Nat. Comm.

Wonho Zhung, Seokhyun Moon, Woo Youn Kim* (2024). Toward Generalizable Structure-based Deep Learning Models for Protein–ligand Interaction Prediction: Challenges and Strategies. WIREs Comput Mol Sci.

Mohammad A. Saad, Wonho Zhung, Margaret Elizabeth Stanley, Sydney Formica, Stacey Grimaldo-Garcia, Girgis Obaid, Tayyaba Hasan* (2022). Photoimmunotherapy Retains Its Anti-Tumor Efficacy with Increasing Stromal Content in Heterotypic Pancreatic Cancer Spheroids. Mol. Pharmaceutics.

Wonho Zhung, Seokhyun Moon, Soojung Yang, Jaechang Lim, Woo Youn Kim* (2022). PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions. Chem. Sci.