D3R Grand Challenge 3: Blind Prediction of Protein-Ligand Poses and Affinity Rankings

The Drug Design Data Resource aims to test and advance the state of the art in protein-ligand modeling, by holding community-wide blinded, prediction challenges. Here, we report on our third major round, Grand Challenge 3 (GC3). Held 2017–2018, GC3 centered on the protein Cathepsin S and the kinases...

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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Gaieb, Zied, Parks, Conor D., Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, Patrick, Lambert, Millard H., Nevins, Neysa, Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6472484/
https://ncbi.nlm.nih.gov/pubmed/30632055
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0180-4
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