PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions S Moon, W Zhung, S Yang, J Lim, WY Kim Chemical Science 13 (13), 3661-3673, 2022 | 110 | 2022 |
Photoimmunotherapy retains its anti-tumor efficacy with increasing stromal content in heterotypic pancreatic cancer spheroids MA Saad, W Zhung, ME Stanley, S Formica, S Grimaldo-Garcia, G Obaid, ... Molecular pharmaceutics 19 (7), 2549-2563, 2022 | 14 | 2022 |
3D molecular generative framework for interaction-guided drug design W Zhung, H Kim, WY Kim Nature Communications 15 (1), 2688, 2024 | 6 | 2024 |
A Protein-Ligand Interaction-focused 3D Molecular Generative Framework for Generalizable Structure-based Drug Design W Zhung, H Kim, WY Kim | 1 | 2023 |
DeepBioisostere: Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties WY Kim, H Kim, S Moon, W Zhung, J Lim | | 2024 |
NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket J Lee, W Zhung, WY Kim arXiv preprint arXiv:2405.16861, 2024 | | 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 | | 2024 |
Toward generalizable structure‐based deep learning models for protein–ligand interaction prediction: Challenges and strategies S Moon, W Zhung, WY Kim Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (1), e1705, 2024 | | 2024 |
Interaction-aware 3D Molecular Generative Framework for Generalizable Structure-based Drug Design WY Kim, W Zhung, H Kim | | 2023 |