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The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu(5) receptor case study
Stabilizing unique receptor conformations, allosteric modulators of G-protein coupled receptors (GPCRs) might open novel treatment options due to their new pharmacological action, their enhanced specificity and selectivity in both binding and signaling. Ligand binding occurs at intrahelical alloster...
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| Publicat a: | J Comput Aided Mol Des |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6825653/ https://ncbi.nlm.nih.gov/pubmed/31542869 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00224-w |
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