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MolADI: A Web Server for Automatic Analysis of Protein–Small Molecule Dynamic Interactions

Protein–ligand interaction analysis is important for drug discovery and rational protein design. The existing online tools adopt only a single conformation of the complex structure for calculating and displaying the interactions, whereas both protein residues and ligand molecules are flexible to som...

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Detalles Bibliográficos
Autores principales: Bai, Bing, Zou, Rongfeng, Chan, H. C. Stephen, Li, Hongchun, Yuan, Shuguang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8347168/
https://www.ncbi.nlm.nih.gov/pubmed/34361778
http://dx.doi.org/10.3390/molecules26154625