How Does the Number of Initial Structures Affect the Conformational Sampling Efficiency and Quality in Parallel Cascade Selection Molecular Dynamics (PaCS-MD)?

• Ryuhei Harada

  Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577

• Yasuteru Shigeta

  Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577

収録刊行物

• Chemistry Letters

  Chemistry Letters 46 (6), 862-865, 2017-06-05

  Oxford University Press (OUP)

キーワード

• General Chemistry

詳細情報

• CRID: 1360283694082627712
• NII論文ID: 130005689326
• DOI: 10.1246/cl.170207
• ISSN: 13480715
• ISSN: 03667022
• Web Site: https://www.journal.csj.jp/doi/pdf/10.1246/cl.170207
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  • CiNii Articles
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