model

Ruben Abagyan talks about compilation of Kino- pocketome, pocket prediction, generation, induced fit docking, dolphin models of DFG- out state, and inhibiting allosteric sites and protein interactions.

Daniele Piomelli, PhD. - Another approach was discussed by D. Piomelli (University of California, Irvine). URB 597, an inhibitor of fatty acid amide hydrolase (FAAH), is expected to increase anandamide signaling and is being currently clinically tested in the therapy of pain. An increase in anandamide signaling may also be useful in the therapy of depression. This is a novel approach to the development of antidepressants. The signaling can be enhanced by blocking anadamide metabolism or by...

Evolutions of oxygen concentration and formation of hypoxic zones during tumour growth in the vascular network. This simulation was produced with an experimental modification to the model, where vessels are oxygen sources inside the simulation domain, cells do not switch to anaerobic metabolism in this simulation. For more information refer to http://code.google.com/p/cord/.

This is a simulation of tumour cord growth , where cells suffer from hypoxia (energy deficit shown with colour). The tumour grows along the blood vessel (coincides with x -axis). Red line shows the position of the tumour–host interface. This particular simulation was programmed in FreeFEM++ out of curiousity. The source code for simulation may be found at http://code.google.com/p/cord . This video reflects work in progress and may be different from the final results .

Simulation of tumour cord growth where conversion of the tumour to glycolytic (anaerobic) metabolism takes place under hypoxia. This video shows volume fraction of glycolytic cell population and velocity of tissue movement. Isolines show hypoxia limits for aerobic and anaerobic cell lines respectively. This video reflects work in progress and may be different from the final results.

Simulation of tumour cord growth where conversion of the tumour to glycolytic (anaerobic) metabolism takes place under hypoxia. This video shows evolution of the region where the aerobic cells suffer from hypoxia (ATP deficit) as well as the limit where the glycolytic cells start suffering too. This video reflects work in progress and may be different from the final results.