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2401.15122
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A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics
26 January 2024
Shengchao Liu
Weitao Du
Yanjing Li
Zhuoxinran Li
Vignesh C. Bhethanabotla
Nakul Rampal
O. Yaghi
C. Borgs
A. Anandkumar
Hongyu Guo
J. Chayes
AI4CE
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Papers citing
"A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics"
4 / 4 papers shown
Title
Enhanced Sampling, Public Dataset and Generative Model for Drug-Protein Dissociation Dynamics
Maodong Li
Jiying Zhang
Bin Feng
Wenqi Zeng
Dechin Chen
Zhijun Pan
Yuan Li
Zijing Liu
Yi Yang
22
0
0
25 Apr 2025
Reduced-Order Neural Operators: Learning Lagrangian Dynamics on Highly Sparse Graphs
Hrishikesh Viswanath
Yue Chang
Julius Berner
Julius Berner
Peter Yichen Chen
Aniket Bera
AI4CE
63
2
0
04 Jul 2024
A Text-guided Protein Design Framework
Shengchao Liu
Yanjing Li
Zhuoxinran Li
A. Gitter
Yutao Zhu
...
Arvind Ramanathan
Chaowei Xiao
Jian Tang
Hongyu Guo
Anima Anandkumar
70
61
0
09 Feb 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
139
410
0
04 Oct 2022
1