Recurrence quantification analysis as a tool for characterization of molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Recurrence quantification analysis as a tool for characterization of molecular dynamics simulations
A molecular dynamics simulation of a Lennard-Jones fluid and a trajectory of the B1 immunoglobulin G-binding domain of streptococcal protein G ~B1-IgG! simulated in water are analyzed by recurrence quantification, which is noteworthy for its independence from stationarity constraints, as well as its ability to detect transients and both linear and nonlinear state changes. The results demonstrat...
متن کاملRecurrence quantification analysis as a tool for the characterization of molecular dynamics simulations
A molecular dynamics simulation of a Lennard-Jones fluid, and a trajectory of the B1 immunoglobulin G-binding domain of streptococcal protein G (B1-IgG) simulated in water are analyzed by recurrence quantification, which is noteworthy for its independence from stationarity constraints, as well as its ability to detect transients, and both linear and nonlinear state changes. The results demonstr...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 1999
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.59.992