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Lead Finder
Lead Finder software is a computational chemistry application for modeling protein-ligand interactions. Lead Finder can be used in molecular docking studies and for the quantitative evaluation of ligand binding and biological activity. It is free for individual non-commercial academic users.
==About==
Lead-Finder〔 software is an integrated solution for simulating structure and binding 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.
Efficiency of ligand docking and binding energy estimations achieved by Lead-Finder are due to docking algorithm and extra precision representation of protein-ligand interactions.
抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』
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