Pregled bibliografske jedinice broj: 546905
Conformational study of small peptides and relation to spectroscopy
Conformational study of small peptides and relation to spectroscopy // EAM Winter School
Kirchberg am Wagram, Austrija, 2011. (predavanje, nije recenziran, neobjavljeni rad, znanstveni)
CROSBI ID: 546905 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Conformational study of small peptides and relation to spectroscopy
Autori
Brkljača, Zlatko ; Smith, Ana-Sunčana ; Smith, David M.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
EAM Winter School
Mjesto i datum
Kirchberg am Wagram, Austrija, 15.03.2011. - 18.03.2011
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Nije recenziran
Ključne riječi
computational chemistry; opioid peptides; REMD; circular dichroism; QM/MM
Sažetak
Structural preferences of small peptides are investigated using replica exchange molecular dynamics. To provide a direct link with experiment, circular dichroism spectra of the peptides were calculated using a QM/MM approach in which the peptide was treated quantum mechanically, while the effect of the solvent was included classically.
Izvorni jezik
Engleski
Znanstvena područja
Kemija, Biologija
POVEZANOST RADA
Projekti:
098-0982933-2937 - Računalno proučavanje strukture i funkcije proteina (Smith, David Matthew, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
