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Lead-Finder software is an integrated solution for simulating structure and affinity
of protein-ligand complexes. The software combines automatic processing of protein structures,
extra precision protein-ligand docking and calculation of free energy of ligand binding.
Original docking algorithm provides a fast rate of calculations, which can be easily
adjusted from more rapid (for virtual screening applications) to slightly more slow and robust,
while unique scoring function implemented in Lead-Finder provides unsurpassed accuracy
of calculations.
Lead-Finder is intended to meet the requirements of computational and medicinal chemists
involved in drug discovery, pharmacologists and toxicologists involved in the evaluation
of ADMET properties in silico, and biochemists and enzymologists working on modeling
protein-ligand interactions, enzyme specificity and rational enzyme design.
Focused libraries by MolTech and Vitas-M Laboratory
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