A New Docking and Screening Method Using a New Operator Based upon Bioinformatics

摘要

Many disease-protein targets have been found from biochemical experiments. Druggable compounds which inhibit or activate those significant protein targets must be researched rapidly. Many researches are using in-sillico screening program such as DOCK, AutoDock and GOLD using classical mechanical potentials. We report the new method using a new operator which uses simulated annealing based on bioinformatics on the protein-ligand flexible docking.