Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation
and Elaboration

Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration

30 May 2023

Lirong Wu

Siyuan Li

Stan Z. Li

Papers citing "Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration"

8 / 8 papers shown

Title
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule Keyue Qiu Yuxuan Song Zhehuan Fan Peidong Liu Zhe Zhang Mingyue Zheng Hao Zhou Wei-Ying Ma 31 0 0 12 May 2025
MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding Lirong Wu Yijun Tian Yufei Huang Siyuan Li Haitao Lin Nitesh V. Chawla Stan Z. Li 36 22 0 22 Feb 2024
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design Keir Adams Connor W. Coley 39 25 0 06 Oct 2022
PiFold: Toward effective and efficient protein inverse folding Zhangyang Gao Cheng Tan Pablo Chacón Stan Z. Li AI4CE 79 104 0 22 Sep 2022
A 3D Generative Model for Structure-Based Drug Design Shitong Luo Jiaqi Guan Jianzhu Ma Jian-wei Peng DiffM 69 178 0 20 Mar 2022
AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB Zhangyang Gao Cheng Tan Stan Z. Li 152 52 0 01 Feb 2022
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 206 885 0 07 Jun 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 239 1,340 0 12 Feb 2018