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Identification and Characterization of Fragment Binding Sites for Allosteric Ligand Design using the Site Identification by Ligand Competitive Saturation Hotspots Approach (SILCS-Hotspots)

BACKGROUND: Fragment-based ligand design is used for the development of novel ligands that target macromolecules, most notably proteins. Central to its success is the identification of fragment binding sites that are spatially adjacent such that fragments occupying those sites may be linked to creat...

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Detalhes bibliográficos
Publicado no:Biochim Biophys Acta Gen Subj
Main Authors: MacKerell, Alexander D., Jo, Sunhwan, Lakkaraju, Sirish Kaushik, Lind, Christoffer, Yu, Wenbo
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7029399/
https://ncbi.nlm.nih.gov/pubmed/31911242
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbagen.2020.129519
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