Detection of ligand binding hot spots on protein surfaces via fragment-based methods: Application to DJ-1 and Glucocerebrosidase

The identification of hot spots, i.e. binding regions that contribute substantially to the free energy of ligand binding, is a critical step for structure-based drug design. Here we present the application of two fragment-based methods to the detection of hot spots for DJ-1 and glucocerebrosidase (G...

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Detalhes bibliográficos
Main Authors: Landon, Melissa R., Lieberman, Raquel L., Hoang, Quyen Q., Ju, Shulin, Caaveiro, Jose M. M., Orwig, Susan D., Kozakov, Dima, Brenke, Ryan, Chuang, Gwo-Yu, Beglov, Dmitry, Vajda, Sandor, Petsko, Gregory A., Ringe, Dagmar
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2889209/
https://ncbi.nlm.nih.gov/pubmed/19521672
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-009-9283-2
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