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[Technical Column] Complex Modeling through Protein-Protein Docking

Protein-protein docking can also be easily analyzed with simple operations!

BIOVIA DiscoveryStudio allows for the analysis of protein-protein docking, which is considered more complex than general docking simulations, with simple operations. The analysis is performed through the following two steps: 1. Conduct a simple protein-protein docking to generate and score multiple candidate structures. 2. Re-score the generated candidate structures based on energy calculations to refine the selection. The image analyzes the docking of a complex between bovine pancreatic β-trypsin (protein receptor) and the inhibitor CMTI-I derived from pumpkin seeds (protein ligand) using this procedure. For detailed steps and technical explanations, please visit our case study page below! https://www.wavefront.co.jp/tech-blog/posts/docking-proteins.html