3D molecular generative framework for interaction-guided drug design W Zhung, H Kim, WY Kim Nature Communications 15 (1), 2688, 2024 | 20 | 2024 |
DFRscore: deep learning-based scoring of synthetic complexity with drug-focused retrosynthetic analysis for high-throughput virtual screening H Kim, K Lee, C Kim, J Lim, WY Kim Journal of Chemical Information and Modeling 64 (7), 2432-2444, 2023 | 7 | 2023 |
Discrete Diffusion Schr\" odinger Bridge Matching for Graph Transformation JH Kim, S Kim, S Moon, H Kim, J Woo, WY Kim arXiv preprint arXiv:2410.01500, 2024 | 2 | 2024 |
Deepbioisostere: Discovering bioisosteres with deep learning for a fine control of multiple molecular properties H Kim, S Moon, W Zhung, J Lim, WY Kim arXiv preprint arXiv:2403.02706, 2024 | 1 | 2024 |
A Protein-Ligand Interaction-focused 3D Molecular Generative Framework for Generalizable Structure-based Drug Design W Zhung, H Kim, WY Kim | 1 | 2023 |