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- person_outline Maria A. Miteva
Publication for MTiOpenScreen
Quantitative Structure Activity Relationship Model for HCVNS5B inhibitors based on an Antlion Optimizer Adaptive Neuro Fuzzy Inference System
[…] 1.7 Å. Chimera was used for crystal structure preparation, only one chain of 3HHK protein was used, all ligands or any solvent molecules were discarded, and polar hydrogens were added by MGLTools.The MTiOpenScreen is a virtual screening server, which uses Autodock Vina as a docking tool to investigate the highly potent and selective molecular compounds as mentioned before. When using a big data se […]
Blockade of the malignant phenotype by β subunit selective noncovalent inhibition of immuno and constitutive proteasomes
[…] impact affinity or selectivity. Selected ligands after experimental testing were prepared with our compound preparation package  and re-docked with the last version of Surflex and our online server MTiOpenScreen  into the three catalytic centers of the recently reported human cCP  taking into account several other structural studies [, , , ]. The twenty best-scored poses for each inhibitor w […]
Identification of potential biomarkers and drugs for papillary thyroid cancer based on gene expression profile analysis
[…] s in the subnetwork were searched using the DrugBank database (www.drugbank.ca) () and the potential drug-like ligands, which interacted with the genes, were screened from the diverse-lib database in MTiOpenScreen (bioserv.rpbs.univ-paris-diderot.fr/services/MTiOpenScreen) () according to Lipinski's rule of five (). […]
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