Pregled bibliografske jedinice broj: 392121
A Differential Binding Affinity to PFL Between Substrate Pyruvate and Inhibitor Oxamate from Thermodynamic Cycle
A Differential Binding Affinity to PFL Between Substrate Pyruvate and Inhibitor Oxamate from Thermodynamic Cycle // Biomolecular Modeling Retreat
Stradbroke Island, Australija, 2008. (poster, nije recenziran, sažetak, znanstveni)
CROSBI ID: 392121 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
A Differential Binding Affinity to PFL Between Substrate Pyruvate and Inhibitor Oxamate from Thermodynamic Cycle
Autori
Čondić-Jurkić, Karmen ; Smith, David M.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Skup
Biomolecular Modeling Retreat
Mjesto i datum
Stradbroke Island, Australija, 08.09.2008. - 12.09.2008
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
PFL; binding affinity; thermodynamic integration; free energy; pyruvate; oxamate
(PFL; binding affinity; thermodynamic integration; pyruvate; oxamate)
Sažetak
Thermodynamic cycle was used to calculate free energy difference for binding of substrate pyruvate to Pyruvate Formate-Lyase and that of known inhibitor oxamate. "Alchemical" approach of converting pyruvate to oxamate was used and the final number was obtained using thermodynamic integration method.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
