Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations

• Kecheng Yang,

  Affiliations Key Laboratory of Synthetic Rubber & Laboratory of Advanced Power Sources, Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, Changchun, 130022, P. R. China, University of Chinese Academy of Sciences, Beijing, 100049, China

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• Bartosz Różycki,

  Affiliation Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, 02–668, Warsaw, Poland

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• Fengchao Cui ,

  * E-mail: fccui@ciac.ac.cn (FC); yunqi@ciac.ac.cn (YL)

  Affiliation Key Laboratory of Synthetic Rubber & Laboratory of Advanced Power Sources, Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, Changchun, 130022, P. R. China

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• Ce Shi,

  Affiliation Key Laboratory of Synthetic Rubber & Laboratory of Advanced Power Sources, Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, Changchun, 130022, P. R. China

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• Wenduo Chen,

  Affiliation Key Laboratory of Synthetic Rubber & Laboratory of Advanced Power Sources, Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, Changchun, 130022, P. R. China

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• Yunqi Li

  * E-mail: fccui@ciac.ac.cn (FC); yunqi@ciac.ac.cn (YL)

  Affiliation Key Laboratory of Synthetic Rubber & Laboratory of Advanced Power Sources, Changchun Institute of Applied Chemistry (CIAC), Chinese Academy of Sciences, Changchun, 130022, P. R. China

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