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Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes
[Image: see text] G-protein-coupled receptors (GPCRs) constitute as much as 30% of the overall proteins targeted by FDA-approved drugs. However, paucity of structural experimental information and low sequence identity between members of the family impair the reliability of traditional docking approa...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2019
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6433333/ https://ncbi.nlm.nih.gov/pubmed/30763087 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00040 |
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