ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models
Proteins, serving as the fundamental architects of biological processes, interact with ligands to perform a myriad of functions essential for life. Designing functional ligand-binding proteins is pivotal for advancing drug development and enhancing therapeutic efficacy. In this study, we introduce P...
Saved in:
Main Authors: | Viet Thanh Duy Nguyen, Nhan D. Nguyen, Truong Son Hy |
---|---|
Format: | Article |
Language: | English |
Published: |
AIP Publishing LLC and ACA
2024-11-01
|
Series: | Structural Dynamics |
Online Access: | http://dx.doi.org/10.1063/4.0000271 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Comparative evaluation of methods for the prediction of protein–ligand binding sites
by: Javier S. Utgés, et al.
Published: (2024-11-01) -
Using Protein Painting Mass Spectrometry to Define Ligand Receptor Interaction Sites for Acetylcholine Binding Protein
by: Alexandru Graur, et al.
Published: (2025-01-01) -
EquiRank: Improved protein-protein interface quality estimation using protein language-model-informed equivariant graph neural networks
by: Md Hossain Shuvo, et al.
Published: (2025-01-01) -
Protein-ligand binding affinity prediction using multi-instance learning with docking structures
by: Hyojin Kim, et al.
Published: (2025-01-01) -
Machine learning approaches for predicting protein-ligand binding sites from sequence data
by: Orhun Vural, et al.
Published: (2025-02-01)