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2P006 Relative binding free energy calculation with a free energy variational principle and its application to FK506-binding protein inhibitors(Proteins-structure and structure-function relationship,Oral Presentations)

机译：2P006具有自由能分析原理的2P006相对结合能量计算及其在FK506结合蛋白抑制剂（蛋白质 - 结构和结构功能关系，口腔介绍）中的应用

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Yuichi Shine; Yasutomo Minami; Takeshi Kikuchi;
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年度 2007
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1. A new method for estimating the relative binding free energy, derived from a free energy variational principle for the Pim-1-kinase-ligand and FKBP-ligand systems [J] . Journal of Computer-Aided Molecular Design . 2020,第6期

机译：一种估计与PIM-1-激酶 - 配体和FKBP-配体系统的自由能变分原理的相对结合可自由能的新方法
2. Estimation of relative binding free energy based on a free energy variational principle for the FKBP-ligand system [J] . Ashida T., Kikuchi T. Journal of Computer-Aided Molecular Design . 2013,第6期

机译：基于FKBP-配体系统的自由能变分原理估算相对结合自由能
3. Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: Case study of relative binding free energies of fructose-1,6-bisphosphatase inhibitors [J] . Rathore R.S., Aparoy P., Reddanna P., Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2011,第10期

机译：在自由能扰动计算中获得可靠结果所需的最小MD模拟长度：果糖1,6-双磷酸酶抑制剂的相对结合自由能的案例研究
4. Large-Scale Computing for Protein-Protein Binding Free Energy Calculation [C] . Junichi Ikeda, Kazuki Ohno, Sayaka Akioka, Proceedings of the 2008 international conference on parallel and distributed processing techniques and applications . 2008

机译：蛋白质-蛋白质结合自由能的大规模计算
5. Towards the prediction of protein-ligand binding affinities: A new class of methods for free energy calculations. [D] . Luo, Rui. 1998

机译：迈向蛋白质-配体结合亲和力的预测：一类用于自由能计算的新方法。
6. Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1 [O] . Anthony J. Clark, Tatyana Gindin, Baoshan Zhang, -1

机译：广泛中和抗体与HIV-1 gp120糖蛋白之间相对结合自由能的自由能摄动计算
7. 1P003 Molecular dynamics simulations of the ligand-binding core of the inositol 1,4,5-trisphosphate receptor in the ligand-free slate(Proteins-structure and structure-function relationship,Oral Presentations) [O] . Yoichi Ida, Sotaro Fuchigami, Mitsunori Ikeguchi, 2007

机译：1P003肌醇1,4,5-三磷酸盐受体中配体结合核的分子动力学模拟（蛋白质 - 结构和结构 - 功能关系，口腔介绍）

2P006 Relative binding free energy calculation with a free energy variational principle and its application to FK506-binding protein inhibitors(Proteins-structure and structure-function relationship,Oral Presentations)

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