Repozitorij Univerze v Novi Gorici

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Naslov:In silico generation of peptides by replica exchange Monte Carlo: Docking-based optimization of maltose-binding-protein ligands
Avtorji:ID Russo, Anna (Avtor)
ID Scognamiglio, Pasqualina Liana (Avtor)
ID Hong Enriquez, Rolando Pablo (Avtor)
ID Santambrogio, Carlo (Avtor)
ID Grandori, Rita (Avtor)
ID Marasco, Daniela (Avtor)
ID Giordano, Antonio (Avtor)
ID Scoles, Giacinto (Avtor)
ID Fortuna, Sara (Avtor)
Datoteke:.pdf 11_Russo_MBP.pdf (4,27 MB)
MD5: 885643A85EBD46544C3538AAAB074FB6
 
Jezik:Angleški jezik
Vrsta gradiva:Delo ni kategorizirano
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:UNG - Univerza v Novi Gorici
Opis:Short peptides can be designed in silico and synthesized through automated techniques, making them advantageous and versatile protein binders. A number of docking-based algorithms allow for a computational screening of peptides as binders. Here we developed ex-novo peptides targeting the maltose site of the Maltose Binding Protein, the prototypical system for the study of protein ligand recognition. We used a Monte Carlo based protocol, to computationally evolve a set of octapeptides starting from a polialanine sequence. We screened in silico the candidate peptides and characterized their binding abilities by surface plasmon resonance, fluorescence and electrospray ionization mass spectrometry assays. These experiments showed the designed binders to recognize their target with micromolar affinity. We finally discuss the obtained results in the light of further improvement in the ex-novo optimization of peptide based binders.
Ključne besede:peptides, docking, optimisation, computation, maltose binding protein, probe, ligand
Leto izida:2015
Št. strani:16
Številčenje:10, 8
PID:20.500.12556/RUNG-2691 Novo okno
COBISS.SI-ID:4536059 Novo okno
DOI:10.1371/journal.pone.0133571 Novo okno
NUK URN:URN:SI:UNG:REP:Z4VVUB3F
Datum objave v RUNG:12.10.2016
Število ogledov:4176
Število prenosov:140
Metapodatki:XML RDF-CHPDL DC-XML DC-RDF
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Gradivo je del revije

Naslov:PLoS ONE
Založnik:Public Library of Science
Leto izida:2015
ISSN:1932-6203

Licence

Licenca:CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
Povezava:http://creativecommons.org/licenses/by/4.0/deed.sl
Opis:To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.
Začetek licenciranja:10.10.2016

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