Effective prediction model and determination of binding residues influential for inhibitors targeting HIV-1 integrase-LEDGF/p75 interface by employing solvent accessible surface area energy as key determinant

• Main Authors: Patcharapong Thangsunan, Sakunna Wongsaipun, Sila Kittiwachana, Nuttee Suree
• Format: Journal
• Published: 2019
• Subjects: Biochemistry, Genetics and Molecular Biology
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85062372620&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/63582
• Institution: Chiang Mai University

© 2019, © 2019 Informa UK Limited, trading as Taylor & Francis Group. Development of a highly accurate prediction model for protein–ligand inhibition has been a major challenge in drug discovery. Herein, we describe a novel predictive model for the inhibition of HIV-1 integrase (IN)-LEDGF/p75...