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Bioinformatics tools for screening of antiparasitic drugs
(Bentham Science Publishers Ltd, 2014)
Cascade ligand- and structure-based virtual screening to identify new trypanocidal compounds inhibiting putrescine uptake
(Frontiers Media SA, 2018-05)
Chagas disease is a neglected tropical disease endemic to Latin America, though migratory movements have recently spread it to other regions. Here, we have applied a cascade virtual screening campaign combining ligand- and ...
EasyVS: a user-friendly web-based tool for molecule library selection and structure-based virtual screening
(Oxford University Press, 2023)
dockECR: Open consensus docking and ranking protocol for virtual screening of small molecules
(Elsevier Science Inc., 2021-12-15)
The development of open computational pipelines to accelerate the discovery of treatments for emerging diseases allows finding novel solutions in shorter periods of time. Consensus molecular docking is one of these approaches, ...
Búsqueda de potenciales inhibidores del ensamblaje de la cápside del virus de la hepatitis B mediante el tamizaje virtual masivo basado en farmacóforoPharmacophore-Based Virtual Screening Toward the Discovery of potential inhibitors of Hepatitis B virus (HBV) capsid assembly
(Universidad Peruana de Ciencias Aplicadas (UPC)PE, 2024)
Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70
(2022-02-01)
Heat Shock Protein 70s (HSP70s) are key molecular chaperones that are overexpressed in many cancers and often associated with metastasis and poor prognosis. It has proven difficult to develop ATP-competitive, drug-like ...
Discovery of novel bovine viral diarrhea inhibitors using structure-based virtual screening on the envelope protein E2
(Frontiers Media S.A., 2018-03)
Bovine viral diarrhea virus (BVDV) is a member of the genus Pestivirus within the family Flaviviridae. BVDV causes both acute and persistent infections in cattle, leading to substantial financial losses to the livestock ...