Schrodinger KNIME Workflows 2018-4
ThesearethecontainedSuites:Small-MoleculeDrugDiscoverySuite.FromQSARtovirtualscreeningtobindingaffinitypredictions,thecomprehensiveSmall-MoleculeDrugDiscoverySuitecontainsallthetoolsnecessaryforfragment-,ligand-,andstructure-baseddrugdesignforleaddiscoveryandoptimization.

BiologicsSuite
Thisnew,easy-to-usesuiteisdesignedfromthegrounduptobethefirstcompletecollectionofallthetoolsthatareimportantinmodelingbiologics,antibodies,andproteins.

MaterialsScienceSuite
Thisinnovativenewsuiteprovidesversatileandpowerfultoolsforthequantummechanics-basedsimulationofchemicalsystems,enablingtheanalysisandoptimizationofsystemswithapplicationsinspecialtychemicalsandmaterialsscience.

DiscoveryInformaticsSuite
Anext-generationplatformforcollaborativedrugdesignallowsmulti-disciplinaryteams,includingmedicinalchemists,biologists,modelers,andITprofessionals,toshare,view,andmanagedatainrealtime.