Estimated equilibration state and stability of MD simulation period of 200,000 pico second (200 nS) for complex structure (TCTP-EF1A1, EF1A1-RAN) evaluation.

PLOS ONE(2020)

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摘要
Time evolutions of (A) total energy of TCTP-EF1A1 and EF1A1-RAN, (B) the backbone RMSD of TCTP-EF1A1 and EF1A1-RAN. Each graph (A, B) include A. thaliana, H. sapiens and P. berghei. (DOCX)
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关键词
md simulation period,equilibration state,stability
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