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FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening

To reduce time and cost, virtual ligand screening (VLS) often precedes experimental ligand screening in modern drug discovery. Traditionally, high-resolution structure-based docking approaches rely on experimental structures, while ligand-based approaches need known binders to the target protein and...

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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Autores principales: Zhou, Hongyi, Cao, Hongnan, Skolnick, Jeffrey
Formato: Artigo
Lenguaje:Inglês
Publicado: 2021
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC8243409/
https://ncbi.nlm.nih.gov/pubmed/33724022
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01160
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