Search Results - "Ruggiero, José Roberto"
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Role of Peptide–Peptide Interactions in Aggregation: Protonectins Observed in Equilibrium and Replica Exchange Molecular Dynamics Simulations
Published in Biochemistry (Easton) (07-04-2015)“…Protonectin (ILGTILGLLKGL-NH2), a peptide extracted from the venom of the wasp Agelaia pallipes pallipes, promotes mast cell degranulation activity, antibiosis…”
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Combining Experimental Evidence and Molecular Dynamic Simulations To Understand the Mechanism of Action of the Antimicrobial Octapeptide Jelleine‑I
Published in Biochemistry (Easton) (29-07-2014)“…Jelleines are four naturally occurring peptides that comprise approximately eight or nine C-terminal residues in the sequence of the major royal jelly protein…”
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Mobile breathers in a Nonlinear model for DNA breathing
Published in Eclética química (01-04-2018)“…Objectives. Analyze the DNA dynamics in Peyrard-Bishop-Dauxois model (PBD) with different control parameters using its energy center of the mobile “breather”…”
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Thermodynamics of DNA with “hump” Morse potential
Published in Eclética química (01-04-2018)“…The thermal denaturation of DNA, i.e. the separation of the two strands is a phenomenon caused by the amplitude of the vibrations of the bases, therefore it is…”
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Selectivity in the mechanism of action of antimicrobial mastoparan peptide Polybia-MP1
Published in European biophysics journal (01-07-2008)“…Many potent antimicrobial peptides also present hemolytic activity, an undesired collateral effect for the therapeutic application. Unlike other mastoparan…”
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A Method for Detection of Water Permeation Events in Molecular Dynamics Simulations of Lipid Bilayers
Published in Brazilian journal of physics (01-06-2022)“…The cell membrane is one of the most important structures of life. Understanding its functioning is essential for several human knowledge areas, mainly how it…”
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MD simulations and multivariate studies for modeling the antileishmanial activity of peptides
Published in Chemical biology & drug design (01-10-2017)“…Leishmaniasis, a protozoan‐caused disease, requires alternative treatments with minimized side‐effects and less prone to resistance development. Antimicrobial…”
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Study of the mechanism of action of anoplin, a helical antimicrobial decapeptide with ion channel-like activity, and the role of the amidated C-terminus
Published in Journal of peptide science (01-06-2008)“…Anoplin, an antimicrobial, helical decapeptide from wasp venom, looses its biological activities by mere deamidation of its C‐terminus. Secondary structure…”
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Statistical Model to DNA Melting
Published in Eclética química (01-01-2001)“…We explore a DNA statistical model to obtain information about the behavior of the thermodynamics quantities. Special attention is given to the thermal…”
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Energy localization in the Peyrard-Bishop DNA model
Published in Physical review. E, Statistical, nonlinear, and soft matter physics (01-08-2004)“…We study energy localization on the oscillator chain proposed by Peyrard and Bishop to model DNA. We search numerically for conditions with initial energy in a…”
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Statistical model to DNA melting
Published in Eclética química (03-12-2001)“…We explore a DNA statistical model to obtain information about the behavior of the thermodynamics quantities. Special attention is given to the thermal…”
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Energy Localization in the Peyrard-Bishop DNA model
Published 14-05-2004“…We study energy localization on the oscillator-chain proposed by Peyrard and Bishop to model the DNA. We search numerically for conditions with initial energy…”
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