Lead Finder™ is designed to satisfy the needs of computational chemists and medicinal chemists involved in the discovery process, pharmacologists and toxicologists involved in the modeling and evaluation of ADMET properties in silico, and biochemists and enzymologists working on enzyme specificity and rational enzyme design.

Use Lead Finder to:

  • Find novel leads through virtual screening
  • Design focussed libraries with a high enrichment of active compounds through screening of larger sets of virtual compounds
  • Predict the 3D structure of active molecules
  • Dock covalent and non-covalent ligands to your protein
  • Rapidly assess new molecule designs for their fit to the protein active site.

Lead Finder is available as command line on Windows®, macOS® and Linux®.

Preparation of cytochrome CYP450 3A4 from crude pdb file_pdb id 1w0f

Position of protein tyrosine phosphatase inhibitor predicted by Lead Finder_reference pdb structure 1c84_Electrostatic and hydrogen bonding interactions are presented by dot surface

Ligand binding to thymidine kinase – crystallographic position_grey licorice_and position predicted by Lead Finder_colored licorice

True active ligand of thymidine kinase

Lead Finder resources

Lead Finder is a BioMolTech product distributed by Cresset. Read about:

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