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Understanding the Molecular Mechanism of Synergistic Inhibition in the Hepatitis C Virus (HCV) Polymerase Using Molecular Dynamics Simulations and Free Energy Calculations

机译：使用分子动力学模拟和自由能计算了解丙型肝炎病毒（HCV）聚合酶中协同抑制的分子机制

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Brown Jodian A.; Thorpe Ian F.;
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2. Combined 3D-QSAR, Molecular Docking, Molecular Dynamics Simulation, and Binding Free Energy Calculation Studies on the 5-Hydroxy-2H-Pyridazin-3-One Derivatives as HCV NS5B Polymerase Inhibitors [J] . Haijing Yu, Yu Fang, Xia Lu, Chemical biology and drug design . 2014,第1期

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4. Molecular Dynamics Simulation Study on the Mechanism of the Inhibition of ATP Hydrolysis with Inhibitors in Human Papillomavirus Type 18 E1 Helicase [C] . Xiuli Lu, Yong Zhang, Shuchao Chen, International Conference on Computer, Networks and Communication Engineering . 2013

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5. Extracting equilibrium from nonequilibrium: Free energy calculation from steered molecular dynamics simulations. [D] . Park, Sanghyun. 2004

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6. Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3D-QSAR Molecular Docking Molecular Dynamics Simulation and Free Energy Calculations [O] . Jingyu Zhu, Yuanqing Wu, Lei Xu, -1

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7. Understanding the Molecular Mechanism of Synergistic Inhibition in the Hepatitis C Virus (HCV) Polymerase via a Computational Investigation of Protein Dynamics [O] . Brown Jodian A., Thorpe Ian F. 2013

机译：通过蛋白质动力学的计算了解丙型肝炎病毒（HCV）聚合酶中协同抑制的分子机制。

Understanding the Molecular Mechanism of Synergistic Inhibition in the Hepatitis C Virus (HCV) Polymerase Using Molecular Dynamics Simulations and Free Energy Calculations

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