Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

Virtual Screening methodologies have emerged as efficient alternatives for the discovery of new drug candidates. At the same time, ensemble methods are nowadays frequently used to overcome the limitations of employing a single model in ligand-based drug design. However, many applications of ensemble...

• Κύριος συγγραφέας: Perez Castillo , Y. (author)
• Άλλοι συγγραφείς: Sanchez Rodriguez, A. (author)
• Μορφή: article
• Έκδοση: 2016
• Θέματα: Dual-target drugs; Virtual screening; MAO-B inhibitors; A2A adenosine receptors antagonist; Ensemble modeling; QSAR
• Διαθέσιμο Online: http://dspace.utpl.edu.ec/handle/123456789/18907