Recurrence quantification analysis as a tool for characterization of molecular dynamics simulations
作者： Cesare Manetti , Marc-Antoine Ceruso , Alessandro Giuliani , Charles L. Webber , Joseph P. Zbilut
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摘要: A molecular dynamics simulation of a Lennard-Jones fluid and trajectory the B1 immunoglobulin G-binding domain streptococcal protein G (B1-IgG) simulated in water are analyzed by recurrence quantification, which is noteworthy for its independence from stationarity constraints, as well ability to detect transients both linear nonlinear state changes. The results demonstrate sensitivity technique discrimination phase sensitive dynamics. physical interpretation measures also discussed.
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128.84.21.199参考文章(36)
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