Hidden peculiarities in the potential energy time series of a tripeptide highlighted by a recurrence plot analysis: A molecular dynamics simulation

Alessandro Giuliani and Cesare Manetti
Phys. Rev. E 53, 6336 – Published 1 June 1996
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Abstract

A molecular dynamics simulation performed with the GROMOS molecular dynamics program of the tripeptide L-tryptophan, N-[N-(5-oxo-L-prolyl)-L-leucyl]-methyl ester (Glp-Leu-Trp-OCH3) was fully analyzed. The computation of dynamical nonlinear techniques to describe a potential energy time series, based on recurrence plot methodology, highlighted otherwise hidden features of the molecular dynamics in the equilibration phase. © 1996 The American Physical Society.

  • Received 16 January 1996

DOI:https://doi.org/10.1103/PhysRevE.53.6336

©1996 American Physical Society

Authors & Affiliations

Alessandro Giuliani

  • Institute for Research on Senescence Sigma Tau, Pomezia, Rome, Italy

Cesare Manetti

  • Department of Chemistry, University ``La Sapienza,'' Piazzale Aldo Moro, 5-00185 Rome, Italy

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Vol. 53, Iss. 6 — June 1996

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