Computer simulations in the modern molecular biology research (CROSBI ID 551239)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Žagrović, Bojan
engleski
Computer simulations in the modern molecular biology research
With the advent of powerful computational resources, and continual improvements in computational techniques and algorithms, the computer simulations of biomolecular structure and dynamics are increasingly becoming a potent partner to experiment in the modern molecular biology research. In this presentation, I will focus on some recent advances and successes in the field of molecular dynamics simulation, and discuss some of the remaining challenges. First, I will present the distributed computing project Folding@Home, currently the most powerful computational resource on the planet including more than 250, 000 processors of volunteers from all around the world. Using this resource we have managed to produce some of the first-ever complete simulations of protein folding with experimentally observed kinetics. Second, I will present some recent advances in calculating the binding free energies of small ligands to receptors. In particular, I will focus on some recent results with cGMP-specific phosphodiesterase inhibitors.
molecular dynamics; protein folding; distributed computing; free energy
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Podaci o prilogu
2008.
objavljeno
Podaci o matičnoj publikaciji
EMBO meeting on cellular signaling and molecular medicine, Cavtat, Croatia, June 2008
Podaci o skupu
EMBO meeting on cellular signaling and molecular medicine
pozvano predavanje
29.05.2008-04.06.2008
Cavtat, Hrvatska