HIDDEN PECULIARITIES IN THE POTENTIAL-ENERGY TIME-SERIES OF A TRIPEPTIDE HIGHLIGHTED BY A RECURRENCE PLOT ANALYSIS - A MOLECULAR-DYNAMICS SIMULATION

Authors
GIULIANI A MANETTI C
Citation
A. Giuliani et C. Manetti, HIDDEN PECULIARITIES IN THE POTENTIAL-ENERGY TIME-SERIES OF A TRIPEPTIDE HIGHLIGHTED BY A RECURRENCE PLOT ANALYSIS - A MOLECULAR-DYNAMICS SIMULATION, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 53(6), 1996, pp. 6336-6340
Citations number
29
Categorie Soggetti
Physycs, Mathematical","Phsycs, Fluid & Plasmas
Journal title
Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics → ACNP
ISSN journal
1063651X
Volume
53
Issue
6
Year of publication
1996
Part
B
Pages
6336 - 6340
Database
ISI
SICI code
1063-651X(1996)53:6<6336:HPITPT>2.0.ZU;2-E
Abstract
A molecular dynamics simulation performed with the GROMOS molecular dy namics program of the tripeptide L-tryptophan, N-[N-(5-oxo-L-prolyl)-L -leucyl]-methyl ester (Glp-Leu-Trp-OCH3) was fully analyzed. The compu tation of dynamical nonlinear techniques to describe a potential energ y time series, based on recurrence plot methodology, highlighted other wise hidden features of the molecular dynamics in the equilibration ph ase.