SCC DFT-TB energy calculations of the phosphoryl transfer reaction in the PKA active site

• Autorzy: Rakowski F , Grochowski P. , Lesyng B.
• Języki publikacji: EN

Słowa kluczowe

EN

energy calculation; phosphoryl-transfer reaction; protein kinase

• Wydawca: -
• Czasopismo: Cellular and Molecular Biology Letters
• Rocznik: 2003
• Tom: 08
• Numer: 2A
• Opis fizyczny: p.603-604

Twórcy

autor

Rakowski F

• Warsaw University, Pawinskiego 5A, 02-106 Warsaw, Poland

autor

Grochowski P.

autor

Lesyng B.

Bibliografia

• 1. Frauenheim, T., Seifert, G., Elstner, M., Hajnal, Z., Jungnickel, G., Porezag, D., Suhai, S. and Scholz, R.A Self-consistent charge density-functional based tight-binding method for predictive materials simulations in physics, chemistry and biology. Physica Status Solidi B - Basic Research 217 (2000) 41-62.
• 2. Knighton J.M., Bell S.M., Zheng J., Eyck L.F.T., Xuong N., Taylor S.S. and Sowadski J.M. Crystal structure of the catalytic subunit of cAMP-dependent protein kinase. Science 253 (1991) 407-420.
• 3. Błachut-Okrasińska, E., Lesyng, B., Briggs, J.M., McCammon, J.A. and Antosiewicz, J.M. Poisson-Boltzmann model studies of molecular electrostatic properties of the cAMP-dependent protein kinase. Eur. Biophys. J. 28 (1999) 457-467.