Cargando…
Improving Protein–Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge
Elucidating protein–ligand interaction is crucial for studying the function of proteins and compounds in an organism and critical for drug discovery and design. The problem of protein–ligand interaction is traditionally tackled by molecular docking and simulation, which is based on physical forces a...
Autores principales: | Giri, Nabin, Cheng, Jianlin |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9855343/ https://www.ncbi.nlm.nih.gov/pubmed/36671518 http://dx.doi.org/10.3390/biom13010132 |
Ejemplares similares
-
Cryo2Struct : A Large Labeled Cryo-EM Density Map Dataset for AI-based Reconstruction of Protein Structures
por: Giri, Nabin, et al.
Publicado: (2023) -
Cryo-EM structure of the complete and ligand-saturated insulin receptor ectodomain
por: Gutmann, Theresia, et al.
Publicado: (2019) -
Classifying liganded states in heterogeneous single-particle cryo-EM datasets
por: Arnold, William R, et al.
Publicado: (2022) -
Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor–ligand complex
por: Uchikawa, Emiko, et al.
Publicado: (2019) -
Topaz-Denoise: general deep denoising models for cryoEM and cryoET
por: Bepler, Tristan, et al.
Publicado: (2020)