| Literature DB >> 31452108 |
Nelson J F da Silveira1, Felipe Siconha S Pereira2, Thiago C Elias3, Tiago Henrique4.
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.Entities:
Keywords: Complex; Docking affinity; Protein–ligand; Protein–protein; Score function; Web docking; Web services
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Year: 2019 PMID： 31452108 DOI： 10.1007/978-1-4939-9752-7_14
Source DB: PubMed Journal: Methods Mol Biol ISSN： 1064-3745