Abstract
Docking process is one of the most significant activities for the analysis of protein–protein or protein–ligand complexes. These tools have become of unique importance when allocated in web services, collaborating scientifically with several areas of knowledge in an interdisciplinary way. Among the several web services dedicated to carrying out molecular docking simulations, we selected the DockThor web service. To illustrate the application of DockThor to protein–ligand docking simulations, we analyzed the docking of a ligand against the structure of epidermal growth factor receptor, an essential molecular marker in cancer research.
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Acknowledgments
This work was supported by LNCC/MCTIC, SINAPAD, INCT-Inofar, FAPERJ, CNPq, and CAPES.
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da Silveira, N.J.F., Pereira, F.S.S., Elias, T.C., Henrique, T. (2019). Web Services for Molecular Docking Simulations. In: de Azevedo Jr., W. (eds) Docking Screens for Drug Discovery. Methods in Molecular Biology, vol 2053. Humana, New York, NY. https://doi.org/10.1007/978-1-4939-9752-7_14
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DOI: https://doi.org/10.1007/978-1-4939-9752-7_14
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