MTiOpenScreen specifications

Information


Unique identifier OMICS_08077
Name MTiOpenScreen
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Maria A. Miteva <>

Publication for MTiOpenScreen

MTiOpenScreen in publications

 (3)
PMCID: 5784174
PMID: 29367667
DOI: 10.1038/s41598-017-19122-y

[…] 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 […]

PMCID: 5354670
PMID: 28060729
DOI: 10.18632/oncotarget.14428

[…] 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 […]

PMCID: 5355717
PMID: 27779685
DOI: 10.3892/mmr.2016.5855

[…] software. in addition, the potential drugs for the hub degs in the subnetwork were screened from drugbank and the potential drug-like ligands, which interacted with genes, were selected using mtiopenscreen. a total of 167 common degs, including 77 upregulated and 90 downregulated degs, were screened. the common degs were associated with the functions of plasma membrane, extracellular […]


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MTiOpenScreen institution(s)
Université Paris Diderot, Sorbonne Paris Cité, Molécules Thérapeutiques In Silico, INSERM UMR-S 973, Paris, France; INSERM, U973, Paris, France

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