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LeadIT

FBLD


fragment design with ReCore:

  • aggressively easy – just 3 clicks to rescaffold
  • interactive fragment growing, merging, linking
  • chemically meaningful replacement of unwanted cores
  • synthetic access checks incorporated
SBDD


docking with FlexX/FlexSIS:

  • award-winning, industry proven docking engine
  • highly appraised receptor intelligence embedded
  • world's most intuitive H2O handling
  • validate ReCore solutions on-the-fly via docking

citing toolname

In publications please cite LeadIT with the respective version number as follows:

LeadIT version 2.3.2; BioSolveIT GmbH, Sankt Augustin, Germany, 2017, www.biosolveit.de/LeadIT