Showing results 1 to 6 of 6
PIGNet2: a versatile deep learning-based protein-ligand interaction prediction model for binding affinity scoring and virtual screening Moon, Seokhyun; Hwang, Sang-Yeon; Lim, Jaechang; Kim, Woo Youn, DIGITAL DISCOVERY, v.3, no.2, pp.287 - 299, 2024-02 |
PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions Moon, Seokhyun; Zhung, Wonho; Yang, Soojung; Lim, Jaechang; Kim, Woo Youn, CHEMICAL SCIENCE, v.13, no.13, pp.3661 - 3673, 2022-04 |
Scaffold-based molecular design using a graph generative model Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Youn, 10th Triennial Congress of the International Society for Theoretical Chemical Physics, UiT The Arctic University of Norway, 2019-07-15 |
Scaffold-based Molecular Design Using Graph Generative Model Lim, Jaechang; Hwang, Sang-Yeon; Kim, Seungsu; Moon, Seokhyun; Kim, Woo Youn, The 2019 Asia-Pacific Association of Theoretical and Computational Chemists, APATCC 2019, 2019-09-30 |
Scaffold-based molecular design with a graph generative model![]() Lim, Jaechang; Hwang, Sang-Yeon; Moon, Seokhyun; Kim, Seungsu; Kim, Woo Youn, CHEMICAL SCIENCE, v.11, no.4, pp.1153 - 1164, 2020-01 |
Toward generalizable structure-based deep learning models for protein-ligand interaction prediction: Challenges and strategies Moon, Seokhyun; Zhung, Wonho; Kim, Woo Youn, WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, v.14, no.1, 2024-01 |
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