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Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations

机译：使用同源性建模，分子对接分子动力学模拟和MM-PBSA结合自由能计算的CB1和CB2配体对CB1和CB2配体的结合亲和力和选择性的预测

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4. Probing ligand binding modes of human cytochrome P45O SJS by homology modeling, molecular dynamics simulation,and flexible molecular docking [C] . Weihua Li, Yun Tang, Hong Liu, 第四届国际分子模拟与信息技术应用学术会议（The 4th International Conference of Molecular Simulations and Applied Informatics Technologies）论文集 . 2008

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5. Towards the prediction of protein-ligand binding affinities: A new class of methods for free energy calculations. [D] . Luo, Rui. 1998

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Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations

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