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Using the fragment molecular orbital method to investigate agonist–orexin-2 receptor interactions

The understanding of binding interactions between any protein and a small molecule plays a key role in the rationalization of affinity and selectivity and is essential for an efficient structure-based drug discovery (SBDD) process. Clearly, to begin SBDD, a structure is needed, and although there ha...

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Detalhes bibliográficos
Publicado no:Biochem Soc Trans
Main Authors: Heifetz, Alexander, Aldeghi, Matteo, Chudyk, Ewa I., Fedorov, Dmitri G., Bodkin, Mike J., Biggin, Philip C.
Formato: Artigo
Idioma:Inglês
Publicado em: Portland Press Ltd. 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5264495/
https://ncbi.nlm.nih.gov/pubmed/27068972
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1042/BST20150250
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