On the prediction of protein-ligand structural complexes and binding affinities by hybrid statistical scoring function

• Main Author: Oon, Yu Yang
• Other Authors: Mu Yuguang
• Format: Final Year Project
• Language: English
• Published: Nanyang Technological University 2023
• Subjects: Science::Physics; Science::Biological sciences::Biophysics
• Online Access: https://hdl.handle.net/10356/166416
• Institution: Nanyang Technological University

Computer-aided drug discovery has truly revolutionised the way we think about and how we develop new drugs targeted to treat obnoxious diseases. Among all the computational methods, scoring functions play a fundamental role in virtual screening, in which we screen through large chemical databases to...