Available Inverse Screening Services :

In some cases (nuclear receptor, protein kinase,..), models of protein-ligand complexes can be used as target to perform inverse virtual screening.
Dedicated servers allow you to select a database of targets (modeled receptors) and calculate the docking of new ligands inserted in MOL2 format.
Servers and target databases are listed here.


DBases of Targets (3D Models) Target Description Date Corresponding Screening Services
NR_HUMAN_I70 (@tome v2.2) Nuclear Receptor (models > 70% sequence identity) (Homo sapiens) 2016 Apr EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_MOUSE_I50 (@tome v2.2) Nuclear Receptor (models > 50% sequence identity) (Mus musculus - Mouse) 2016 Jan EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_DANRE_I50 (@tome v2.2) Nuclear Receptor (models > 50% sequence identity) (Danio rerio - Zebrafish) 2016 Jan EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_HUMAN_I50 (@tome v2.2) Nuclear Receptor (models > 50% sequence identity) (Homo sapiens) 2016 Nov EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_HUMAN_I30 (@tome v2.2) Nuclear Receptor (models > 30% sequence identity) (Homo sapiens) 2016 Jan EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_XENLA_I50 (@tome v2.2) Nuclear Receptor (models > 50% sequence identity) (Xenopus laevis) 2016 Jan EDMon v1.2 : Endocrine Disruptor Monitoring Server
NR_HUMAN_I90 (@tome v2.2) Nuclear Receptor (models > 90% sequence identity) (Homo sapiens) 2016 Apr EDMon v1.2 : Endocrine Disruptor Monitoring Server
KINOME_HUMAN (@tome v2.2) Protein Kinase (Homo sapiens) 2015 Oct LIST v1.2 : Large-scale Inverse Screening Tool for proteins kinases