Multimodal protein representation learning and target-aware variational auto-encoders for protein-binding ligand generation

Without knowledge of specific pockets, generating ligands based on the global structure of a protein target plays a crucial role in drug discovery as it helps reduce the search space for potential drug-like candidates in the pipeline. However, contemporary methods require optimizing tailored network...

Descripción completa

Detalles Bibliográficos

Autores principales:	Nhat Khang Ngo, Truong Son Hy
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	IOP Publishing 2024-01-01
Colección:	Machine Learning: Science and Technology
Materias:	protein representation learning protein-ligand binding ligand generation geometric deep learning large language models multimodal architecture
Acceso en línea:	https://doi.org/10.1088/2632-2153/ad3ee4
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!