Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking

15 November 2021

Papers citing "Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking"

21 / 71 papers shown

Title
DiffSDS: A language diffusion model for protein backbone inpainting under geometric conditions and constraints Zhangyang Gao Cheng Tan Stan Z. Li DiffM 23 19 0 22 Jan 2023
Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction C. Knutson G. Panapitiya R. Varikoti Neeraj Kumar AI4CE 20 0 0 20 Dec 2022
Integration of Pre-trained Protein Language Models into Geometric Deep Learning Networks Fang Wu Yujun Tao Dragomir R. Radev Jinbo Xu Stan Z. Li AI4CE 30 32 0 07 Dec 2022
DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding Haitao Lin Yufei Huang Odin Zhang Siqi Ma Meng Liu X. Li Lirong Wu Shuiwang Ji Tingjun Hou Stan Z. Li DiffM 26 60 0 21 Nov 2022
Semi-Equivariant Continuous Normalizing Flows for Target-Aware Molecule Generation Eyal Rozenberg Daniel Freedman 21 0 0 09 Nov 2022
Structure-based drug design with geometric deep learning Clemens Isert Kenneth Atz G. Schneider 53 104 0 19 Oct 2022
A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps Kiarash Jamali D. Kimanius S. Scheres 3DV 18 27 0 30 Sep 2022
Graph Neural Networks for Molecules Yuyang Wang Zijie Li A. Farimani GNN AI4CE 45 20 0 12 Sep 2022
Conditional Antibody Design as 3D Equivariant Graph Translation Xiangzhe Kong Wenbing Huang Yang Liu DiffM 32 85 0 12 Aug 2022
Learning Hierarchical Protein Representations via Complete 3D Graph Networks Limei Wang Haoran Liu Yi Liu Jerry Kurtin Shuiwang Ji GNN 33 55 0 26 Jul 2022
Antibody-Antigen Docking and Design via Hierarchical Equivariant Refinement Wengong Jin Regina Barzilay Tommi Jaakkola 16 22 0 14 Jul 2022
CoSP: Co-supervised pretraining of pocket and ligand Zhangyang Gao Cheng Tan Lirong Wu Stan Z. Li 23 19 0 23 Jun 2022
Equivariant Descriptor Fields: SE(3)-Equivariant Energy-Based Models for End-to-End Visual Robotic Manipulation Learning Hyunwoo Ryu Jeong-Hoon Lee Honglak Lee Jongeun Choi 37 53 0 16 Jun 2022
DRLComplex: Reconstruction of protein quaternary structures using deep reinforcement learning Elham Soltanikazemi Rajashree Roy Farhan Quadir Nabin Giri Alex Morehead Jianlin Cheng 12 7 0 26 May 2022
DProQ: A Gated-Graph Transformer for Protein Complex Structure Assessment Xiao Chen Alex Morehead Jian Liu Jianlin Cheng 40 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 44 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 27 2 0 15 May 2022
Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport Jiying Zhang Xi Xiao Long-Kai Huang Yu Rong Yatao Bian OT 6 32 0 20 Mar 2022
Improving Molecular Representation Learning with Metric Learning-enhanced Optimal Transport Fang Wu Nicolas Courty Shuting Jin Stan Z. Li OOD OT 21 8 0 13 Feb 2022
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Hannes Stärk O. Ganea L. Pattanaik Regina Barzilay Tommi Jaakkola 22 262 0 07 Feb 2022
Riemannian Score-Based Generative Modelling Valentin De Bortoli Emile Mathieu M. Hutchinson James Thornton Yee Whye Teh Arnaud Doucet DiffM 222 164 0 06 Feb 2022