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EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics

EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics

Chenqing Hua
Yong Liu
Dinghuai Zhang
Odin Zhang
Sitao Luan
Kevin K. Yang
Guy Wolf
Doina Precup
Shuangjia Zheng
ArXiv (abs)PDFHTMLGithub (92★)

Papers citing "EnzymeFlow: Generating Reaction-specific Enzyme Catalytic Pockets through Flow Matching and Co-Evolutionary Dynamics"

8 / 8 papers shown
Title
CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes
CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes
Jason Yang
Ariane Mora
Shengchao Liu
Bruce J. Wittmann
A. Anandkumar
Frances H. Arnold
Yisong Yue
12
6
0
21 Jun 2024
Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation
Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation
Odin Zhang
Yufei Huang
Shichen Cheng
Mengyao Yu
Xujun Zhang
...
Yu Kang
Sunliang Cui
P. Pan
Chang-Yu Hsieh
Tingjun Hou
68
4
0
15 Mar 2024
DiffBP: Generative Diffusion of 3D Molecules for Target Protein Binding
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
77
67
0
21 Nov 2022
Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow
Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow
Xingchao Liu
Chengyue Gong
Qiang Liu
OOD
209
1,043
0
07 Sep 2022
High-Order Pooling for Graph Neural Networks with Tensor Decomposition
High-Order Pooling for Graph Neural Networks with Tensor Decomposition
Chenqing Hua
Guillaume Rabusseau
Jian Tang
118
26
0
24 May 2022
Protein Representation Learning by Geometric Structure Pretraining
Protein Representation Learning by Geometric Structure Pretraining
Zuobai Zhang
Minghao Xu
Arian R. Jamasb
Vijil Chenthamarakshan
A. Lozano
Payel Das
Jian Tang
SSL
57
232
0
11 Mar 2022
E(n) Equivariant Graph Neural Networks
E(n) Equivariant Graph Neural Networks
Victor Garcia Satorras
Emiel Hoogeboom
Max Welling
113
1,033
0
19 Feb 2021
Molecule Attention Transformer
Molecule Attention Transformer
Lukasz Maziarka
Tomasz Danel
Slawomir Mucha
Krzysztof Rataj
Jacek Tabor
Stanislaw Jastrzebski
87
170
0
19 Feb 2020

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