Pregled bibliografske jedinice broj: 671346
Acetylation as a Trigger of Conformational Changes in PFL Catalysis
Acetylation as a Trigger of Conformational Changes in PFL Catalysis // Summer School "Computational Life Sciences on Open Shell Species", AvH Linkage Programme
Primošten, Hrvatska, 2013. (predavanje, nije recenziran, sažetak, znanstveni)
CROSBI ID: 671346 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Acetylation as a Trigger of Conformational Changes in PFL Catalysis
Autori
Čondić-Jurkić, Karmen ; Smith, Ana-Sunčana ; Smith, David M.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Skup
Summer School "Computational Life Sciences on Open Shell Species", AvH Linkage Programme
Mjesto i datum
Primošten, Hrvatska, 29.08.2013. - 01.09.2013
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Nije recenziran
Ključne riječi
pyruvate formate lyase; acetylation; CoA; molecular dynamics; free energy calculations
(pyruvate formate lyase; acetlyation; coA; molecular dynamics; free energy calculations)
Sažetak
Comparison of the free energy profiles derived for the entrance of the second substrate - coenzyme A, into the active site of pyruvate formate-lyase. Potential of mean force for this process was estimated from molecular dynamics simulations using modern approaches in free energy calculations.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
098-0982933-2937 - Računalno proučavanje strukture i funkcije proteina (Smith, David Matthew, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
