Welcome to Cov_DOX
web server
Please fill the blanks with your information, and click the corresponding button to submit your job.
To do a binding structure prediction for a non-covalent ligand, please click here!
To do a binding structure prediction for a covalent ligand, please click here!

Citation:

To cite the use of DOX or COVDOX, please cite the following literature.


1. DOX for non-covalent ligand:

Wei, L.; Chi, B.; Ren, Y.; Rao, L.; Wu, J.; Shang, H.; Liu, J.; Xiao, Y.; Ma, M.; Xu, X.; Wan, J., Conformation Search Across Multiple-Level Potential-Energy Surfaces (CSAMP): A Strategy for Accurate Prediction of Protein-Ligand Binding Structures. Journal of Chemical Theory and Computation 2019, 15 (7), 4264-4279. DOI: 10.1021/acs.jctc.8b01150


2. Cov_DOX for covalent ligand:

Wei,L.; Chen, Y.; Liu, J.; Rao, L.; Ren, Y.; Xu, X; Wan, J., Cov_DOX: A Method for Structure Prediction of Covalent Protein-Ligand Bindings. Journal of Medicinal Chemistry 2022, 65 (7), 5528-5538. DOI: 10.1021/acs.jmedchem.1c02007


Please contact raoli@ccnu.edu.cn if you encounter any problem.