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A Multi-Grained Symmetric Differential Equation Model for Learning
  Protein-Ligand Binding Dynamics

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
ArXivPDFHTML

Papers citing "A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics"

3 / 3 papers shown
Title
Enhanced Sampling, Public Dataset and Generative Model for Drug-Protein Dissociation Dynamics
Enhanced Sampling, Public Dataset and Generative Model for Drug-Protein Dissociation Dynamics
Maodong Li
Jiying Zhang
Bin Feng
Wenqi Zeng
Dechin Chen
Zhijun Pan
Y. Li
Zijing Liu
Y. Yang
17
0
0
25 Apr 2025
A Text-guided Protein Design Framework
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
38
60
0
09 Feb 2023
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
130
399
0
04 Oct 2022
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