Improve the Scoring of Protein-Ligand Binding Affinity by Including the Desolvation Energy

• 作 者: Yan Li Zhihai Liu Jie Li Wei Nei Yuchen Liu Renxiao Wang
• 机 构: State Key Laboratory of Bioorganic Chemistry,Shanghai Institute of Organic Chemistry,Chinese Academy
• 出 处: 2015年全国药物化学学术会议暨第五届中英药物化学学术会议
• 发表日期: 2015年3期
• 关键词: Protein-Ligand Binding Affinity Scoring Function Desolvation Energy

　　Scoring function is a popular computational method for predicting the protein-ligand binding affinity.It has been widely applied in modern drug discovery due to its fast and robust implementation.