Reduction of false positives in structure-based virtual screening when receptor plasticity is considered

• Main Authors: Awuni, Yaw, Mu, Yuguang
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2015
• Subjects: DRNTU::Science::Biological sciences::Molecular biology
• Online Access: https://hdl.handle.net/10356/105702; http://hdl.handle.net/10220/25987
• Institution: Nanyang Technological University

Structure-based virtual screening for selecting potential drug candidates is usually challenged by how numerous false positives in a molecule library are excluded when receptor plasticity is considered. In this study, based on the binding energy landscape theory, a hypothesis that a true inhibitor c...