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Vinardo: A scoring function based on autodock vina improves scoring, docking, and virtual screening
(Public Library of Science, 2016-05-12)
Autodock Vina is a very popular, and highly cited, open source docking program. Here we present a scoring function which we call Vinardo (Vina RaDii Optimized). Vinardo is based on Vina, and was trained through a novel ...
Dictyostelium discoideum as a surrogate host-microbe model for antivirulence screening in Pseudomonas aeruginosa PAO1
(2016-05-01)
The interest of the pharmaceutical industry in developing new antibiotics is decreasing, as established screening systems which identify compounds that kill or inhibit the growth of bacteria can no longer be used. Consequently, ...
Computational drug discovery for the Zika virus
(Universidade de São Paulo, 2019)
A new method for ligand-based virtual screening using linear algebra
(Universidade Federal de Minas GeraisBrasilICB - INSTITUTO DE CIÊNCIAS BIOLOGICASPrograma de Pós-Graduação em BioinformaticaUFMG, 2020-11-27)
A triagem virtual baseada em ligantes de grandes bancos de dados moleculares pode auxiliar a reduzir custos com experimentos, ao filtrar e classificar compostos promissores numa etapa inicial do processo de desenvolvimento ...
Virtual screening of potential inhibitors against N-myristoyltransferase from Plasmodium vivax
(Universidade Federal de UberlândiaBrasilBiotecnologia, 2019)
Virtual Screening, Selection and Molecular Dynamics of Protein Inhibitors N-myristoyltransferase (NMT) in Plasmodium vivax
(Universidade Federal de UberlândiaBrasilBiotecnologia, 2019)
Screen space reconfigured
This volume has taken shape over an extended period of time. It was
prompted by the symposium Re-Placing the Cinematic, which we organized
at Atelier Nord in Oslo in 2013. Under scrutiny during the symposium was
‘the ...
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 ...