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Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins

机译：基于初始结构的非重定选择规则的非目标级联选择分子动力学增强了蛋白质的构象抽样

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1. Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiency [J] . Harada Ryuhei, Shigeta Yasuteru Journal of molecular graphics & modelling . 2018,第期

机译：并行级联选择中初始结构的选择规则分子动力学影响构象采样效率
2. Nontargeted Parallel Cascade Selection Molecular Dynamics for Enhancing the Conformational Sampling of Proteins [J] . Harada Ryuhei, Kitao Akio Journal of chemical theory and computation: JCTC . 2015,第11期

机译：非靶向的级联选择分子动力学，用于增强蛋白质的构象采样
3. How Does the Number of Initial Structures Affect the Conformational Sampling Efficiency and Quality in Parallel Cascade Selection Molecular Dynamics (PaCS-MD)? [J] . Harada Ryuhei, Shigeta Yasuteru Chemistry Letters . 2017,第6期

机译：初始结构的数量如何影响并行级联选择分子动力学（PACS-MD）中的构象采样效率和质量？
4. Parallel Cascade Selection Molecular Dynamics for Efficient Conformational Sampling and Free Energy Calculation of Proteins [C] . Akio Kitao, Ryuhei Harada, Yasutaka Nishihara, International Conference of Computational Methods in Sciences and Engineering . 2016

机译：平行级联选择分子动力学，用于高效构象采样和蛋白质自由能计算
5. Protein structure prediction and conformational transitions. I. Improvement of protein secondary structure prediction. II. Pathways of conformational transition originating in phosphorylation: A study of CDK2 using targeted molecular dynamics and coarse grained models [D] . Cheng, Haitao 2009

机译：蛋白质结构预测和构象过渡。 I.改善蛋白质二级结构预测。 II。源于磷酸化的构象过渡的途径：使用靶分子动力学和粗粒模型的CDK2研究
6. Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms [O] . Takaharu Mori, Naoyuki Miyashita, Wonpil Im, -1

机译：使用增强的构象采样算法的生物膜和膜蛋白的分子动力学模拟
7. Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics [O] . -1

机译：使用蛋白质动力学中的构象过渡的时间局部化预测，不设定的并联级联选择分子动力学

Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins

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