Dataset
The dataset mentioned in [1] is available for download. If you use this dataset in your work, please cite [1].
References
If you use DINC-COVID in your work, please cite [1]
The underlying methods of DINC-COVID are presented in details in [1].
The underlying methods of DINC are presented in [2].
To learn more about the challenges of protein flexibility in molecular docking, please read [3].
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S. Hall-Swan, D. Devaurs, M. M. Rigo, D. A. Antunes, L. E. Kavraki, G. Zanatta, “DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins," Computers in Biology and Medicine 2021.
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D. Devaurs, D. A. Antunes, S. Hall-Swan, N. Mitchell, M. Moll, G. Lizée, and L. E. Kavraki, “Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins," BMC Molecular and Cell Biology, vol. 20, no. 1, p. 42, 2019.
- D. A. Antunes, D. Devaurs, and L. E. Kavraki, “Understanding the challenges of protein flexibility in drug design,” Expert Opinion on Drug Discovery, vol. 10, no. 12, pp. 1301–1313, 2015.