Recurrence quantification analysis as a tool for the characterization of molecular dynamics simulations

Preprint

4 June 1998

preprint
Published by arXiv in arXiv

Abstract

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. The results demonstrate the sensitivity of the technique for the discrimination of phase sensitive dynamics. Physical interpretation of the recurrence parameters is also discussed.

Keywords

MOLECULAR DYNAMICS SIMULATIONS
RECURRENCE QUANTIFICATION
SIMULATIONS A MOLECULAR
QUANTIFICATION ANALYSIS
IMMUNOGLOBULIN
BINDING
WATER

All Related Versions

Version 1, 1998-06-04, ArXiv
Version 2, 1998-09-23, ArXiv
Published version: Physical Review E, 59 (1), 992.

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