EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

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EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

7 February 2022

Regina Barzilay

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Papers citing "EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction"

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Title
DProQ: A Gated-Graph Transformer for Protein Complex Structure Assessment Xiao Chen Alex Morehead Jian Liu Jianlin Cheng 71 7 0 21 May 2022
EGR: Equivariant Graph Refinement and Assessment of 3D Protein Complex Structures Alex Morehead Xiao Chen Tianqi Wu Jian Liu Jianlin Cheng 112 7 0 20 May 2022
Discovering and Explaining the Representation Bottleneck of Graph Neural Networks from Multi-order Interactions Fang Wu Siyuan Li Lirong Wu Dragomir R. Radev Stan Z. Li 109 3 0 15 May 2022
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation Seung-gu Kang J. Weber Joseph A. Morrone Leili Zhang T. Huynh Wendy D. Cornell DiffM 42 3 0 05 Apr 2022
MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Yuanqi Du Tianfan Fu Jimeng Sun Shengchao Liu AI4CE 190 91 0 28 Mar 2022
AI-Bind: Improving Binding Predictions for Novel Protein Targets and Ligands Ayan Chatterjee Robin Walters Zohair Shafi O. Ahmed Michael Sebek D. Gysi Rose Yu Tina Eliassi-Rad A. Barabási G. Menichetti AI4CE 57 4 0 25 Dec 2021
DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction Alex Morehead Chen Chen A. Sedova Jianlin Cheng 76 28 0 06 Jun 2021