LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening

Virtual screening is a powerful methodology to search for new small molecule inhibitors against a desired molecular target. Usually, it involves evaluating thousands of compounds (derived from large databases) in order to select a set of potential binders that will be tested in the wet-lab. The numb...

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Detalles Bibliográficos
Autores principales: Radusky, L., Ruiz-Carmona, S., Modenutti, C., Barril, X., Turjanski, A.G., Martí, M.A.
Formato: JOUR
Materias:
Binders
Bins
Proteins
Enrichment factors
Large database
Large datasets
Molecular targets
Potential ligand
Protein domains
Small molecule inhibitor
Virtual Screening
Ligands
ligand
protein
protein binding
binding site
chemistry
computer interface
drug database
Internet
metabolism
preclinical study
procedures
software
Binding Sites
Databases, Pharmaceutical
Drug Evaluation, Preclinical
Protein Binding
Software
User-Computer Interface
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_15499596_v57_n8_p1741_Radusky
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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