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Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches

Virtual screening (VS) is an outstanding cornerstone in the drug discovery pipeline. A variety of computational approaches, which are generally classified as ligand-based (LB) and structure-based (SB) techniques, exploit key structural and physicochemical properties of ligands and targets to enable...

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Publicado en:Molecules
Main Authors: Vázquez, Javier, López, Manel, Gibert, Enric, Herrero, Enric, Luque, F. Javier
Formato: Artigo
Idioma:Inglês
Publicado: MDPI 2020
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7587536/
https://ncbi.nlm.nih.gov/pubmed/33076254
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25204723
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