The docking prediction of baicalin and BMP receptor using SwissDock / 中国生化药物杂志

ABSTRACT

Objective To introduce the application of SwissDock in prediction of protein and small molecule docking , and provide reference for usage of SwissDock.Methods Chooseing baicalin (small molecule) and BMPRII (target protein) as study objects, operation processes of SwissDock system were described in detail and results were analyzed.Results The prediction result of SwissDock systew demonstrates that ASN338 is found as the binding site of docking, and the distance between ASN338 and baicalin is 3.5?and G=-13.17 kcal/mol.Conclusion SwissDock can help usersto submit dockings and retrieve predicted complexes.The system including simple operation interface and good human-computer interaction, it will be a powerful tool for researches of molecular recognition on the atomic scale .