Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion
Bridge

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Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge

18 February 2024

Lirong Wu

Cheng Tan

Siyuan Li

Stan. Z. Li

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Papers citing "Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge"

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Title
Departures: Distributional Transport for Single-Cell Perturbation Prediction with Neural Schrödinger Bridges Changxi Chi Yufei Huang Jun Xia Jiangbin Zheng Yunfan Liu Z. Zang Stan Z. Li OT 245 0 0 17 Nov 2025
SigmaDock: Untwisting Molecular Docking With Fragment-Based SE(3) Diffusion Alvaro Prat Leo Zhang Charlotte M. Deane Yee Whye Teh Garrett M. Morris DiffM 86 0 0 06 Nov 2025
Energy-Based Flow Matching for Generating 3D Molecular Structure Wenyin Zhou Christopher Iliffe Sprague Vsevolod Viliuga Matteo Tadiello Arne Elofsson Hossein Azizpour DiffM 112 1 0 26 Aug 2025
The Docking Game: Loop Self-Play for Fast, Dynamic, and Accurate Prediction of Flexible Protein--Ligand Binding Youzhi Zhang Y. Li Gaofeng Meng Hongbin Liu Jiebo Luo 76 1 0 07 Aug 2025
Designing Cyclic Peptides via Harmonic SDE with Atom-Bond Modeling Xiangxin Zhou Mingyu Li Yi Xiao Jiahan Li Dongyu Xue Zaixiang Zheng Jianzhu Ma Quanquan Gu 127 2 0 27 May 2025
Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic FlowsInternational Conference on Learning Representations (ICLR), 2025 Xiangxin Zhou Yi Xiao Haowei Lin Xinheng He Jiaqi Guan Yang Wang Qiang Liu F. I. S. Kevin Zhou Liang Wang Jianzhu Ma AI4CE 181 1 0 06 Mar 2025
Fast and Accurate Blind Flexible DockingInternational Conference on Learning Representations (ICLR), 2025 Zizhuo Zhang Lijun Wu Ran Bi Jiangchao Yao Tao Qin Bo Han 345 1 0 20 Feb 2025
CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph Haitao Lin Guojiang Zhao Odin Zhang Yufei Huang Lirong Wu Zicheng Liu Siyuan Li Cheng Tan Zhifeng Gao Stan Z. Li 189 15 0 16 Jun 2024
$Diffusion Models in $\textit{De Novo}$ Drug Design$ Diffusion Models in $\textit{De Novo}$ Drug DesignJournal of Chemical Information and Modeling (JCIM), 2024 Amira Alakhdar Barnabas Poczos Newell Washburn MedIm 175 53 0 07 Jun 2024
A Systematic Survey in Geometric Deep Learning for Structure-based Drug Design Zaixin Zhang Jiaxian Yan Qi Liu Enhong Chen Marinka Zitnik 323 1 0 20 Jun 2023