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...

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Bibliographic Details
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
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