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The set-up is a 42-inch plasma TV screen and a large speaker, both hooked up to a Nintendo Wii running special Virtual Maestro software.
All the above targets were prepared using the "Protein Preparation Wizard" module of the Maestro software [14].
This implementation was carried out with the graphical user interface (GUI) of the Maestro software package (New York, USA) [55], using the OPLS force field [56 58].
These were initially treated with LigPrep [41], implemented on the graphical user interface of the Maestro software package [42], using the Optimized Potentials for Liquid Simulations (OPLS) forcefield [43, 44, 45].
Fluorescence images were obtained using the Maestro system and processed with the Maestro software 2.8.
After determining the protonation state for each residue at pH 7.0, hydrogens were added to the protein using Maestro software.
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The spectra was "unmixed", and the signal in each of the tumors was analyzed using the Maestro 2.10.0 software.
The ligand dabrafenib was built in Maestro (Schrödinger software, http://www.schrodinger.com/), and refined with the MMFF94 force field.
After mixed raw images were captured, Maestro 2.2 software was used to perform spectral unmixing and to isolate autofluorescence and QD fluorescence.
Raw, mixed signal images were analysed by the Maestro 2.2 software to isolate the autofluorescence (based on the control animal) and QD (or Alexa 680) fluorescence.
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