Seokhyun Moon

Korea Advanced Institute of Science and Technology — South Korea

Computer Science · Physical Sciences

4h-index242citations14works2.82yr avg
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Research Topics

Computational Drug Discovery Methods(11), Machine Learning in Materials Science(8), Protein Structure and Dynamics(7), Chemistry and Chemical Engineering(3), Bioinformatics and Genomic Networks(2)

Publications14 total

Discrete Diffusion Schrödinger Bridge Matching for Graph Transformation
arXiv (Cornell University)·2024Open Access
DeepBioisostere: Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
2024· 1 citedOpen Access
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties
arXiv (Cornell University)·2024Open Access
Toward generalizable structure‐based deep learning models for protein–ligand interaction prediction: Challenges and strategies
Wiley Interdisciplinary Reviews Computational Molecular Science·2024· 10 citedOpen Access
PIGNet2: a versatile deep learning-based protein–ligand interaction prediction model for binding affinity scoring and virtual screening
Digital Discovery·2023· 42 citedOpen Access
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening
arXiv (Cornell University)·2023· 4 citedOpen Access
PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
PIGNet2: A versatile deep learning-based protein-ligand interaction prediction model for accurate binding affinity scoring and virtual screening
2023Open Access
GeoTMI:Predicting quantum chemical property with easy-to-obtain geometry via positional denoising
arXiv (Cornell University)·2023· 3 citedOpen Access
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
PIGNet: a physics-informed deep learning model toward generalized drug–target interaction predictions
Chemical Science·2022· 178 citedOpen Access
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions
arXiv (Cornell University)·2020· 1 citedOpen Access
Scaffold-based molecular design using graph generative model
arXiv (Cornell University)·2019· 3 citedOpen Access

Frequent Co-authors

Woo Youn Kim(12), Jaechang Lim(9), Sang-Yeon Hwang(5), Wonho Zhung(4), Jeheon Woo(2), Seonghwan Kim(2), Jun Hyeong Kim(2), Hyeongwoo Kim(2), Soojung Yang(1), Seungsu Kim(1), Hyeonsu Kim(1), Wonho Zhung(1), Soojung Yang(1), Hyeongwoo Kim(1)