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Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins
Proteins can sample a broad landscape as they undergo conformational transition between different functional states. At the same time, as key players in almost all cellular processes, proteins are important drug targets. Considering the different conformational states of a protein is therefore centr...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8985516/ https://www.ncbi.nlm.nih.gov/pubmed/35440993 http://dx.doi.org/10.1039/d2sc00841f |