Benchmarking different docking protocols for predicting the binding poses of ligands complexed with cyclooxygenase enzymes and screening chemical libraries

CONCLUSION: The obtained results support the importance of choosing appropriate docking method for predicting ligand-receptor binding modes, and provide specific information about docking calculations on COXs ligands.PMID:38505677 | PMC:PMC10945300 | DOI:10.34172/bi.2023.29955

Source: BioImpacts - March 20, 2024 Category: Research Authors: Sara Shamsian Babak Sokouti Siavoush Dastmalchi Source Type: research