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Essential Dynamics Ensemble Docking for Structure-Based GPCR Drug Discovery
The lack of biologically relevant protein structures can hinder rational design of small molecules to target G protein-coupled receptors (GPCRs). While ensemble docking using multiple models of the protein target is a promising technique for structure-based drug discovery, model clustering and selec...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9277106/ https://www.ncbi.nlm.nih.gov/pubmed/35847975 http://dx.doi.org/10.3389/fmolb.2022.879212 |