Progress in Study on Predicting Binding Affinity between Ligand and Protein
The prediction of protein-ligand binding affinity is one of the most important tasks in Computer-Aided Drug Design.Researchers have undertaken extensive experiments to obtain better tools for prediction since 1980s,and many new methods have been developed in compliance with the progress of novel theories and techniques in recent years.Now researchers have been allowed to choose a method more suitabe for the required task,due to the diversity of the prediction tools.However,most of the methods have their limitations and there aren't any so-called universal methods.At the same time,their accuracy need to be further improved also.With the appearance of such a huge amount of structural information,developing methods with efficiency and accuracy has become an imperative and interesting field of research.This paper focuses on the methods used in prediction of binding affinity and their applications in Computer-Aided Drug Design,hoping to promote the development of researches and applications in these new algorithms.