Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
نویسندگان
چکیده
منابع مشابه
Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
BACKGROUND Molecular docking methods are commonly used for predicting binding modes and energies of ligands to proteins. For accurate complex geometry and binding energy estimation, an appropriate method for calculating partial charges is essential. AutoDockTools software, the interface for preparing input files for one of the most widely used docking programs AutoDock 4, utilizes the Gasteiger...
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the effects of planning on accuracy and complexity of iranian efl students’ written narrative task performance
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2009
ISSN: 1758-2946
DOI: 10.1186/1758-2946-1-15