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20100811

20100811.

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20100811

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  1. 20100811

  2. Figure 1 | Foldit screenshot illustrating tools and visualizations. The visualizations include a clash representing atoms that are too close (arrow 1); a hydrogen bond (arrow 2); a hydrophobic side chain with a yellow blob because it is exposed (arrow 3); a hydrophilic side chain (arrow 4); and a segment of the backbone that is red due to high residue energy (arrow 5). The players can make modifications including ‘rubber bands’ (arrow 6), which add constraints to guide automated tools, and freezing (arrow 7), which prevents degrees of freedom from changing. The user interface includes information about the player’s current status, including score (arrow 8); a leader board (arrow 9), which shows the scores of other players and groups; toolbars for accessing tools and options (arrow 10); chat for interacting with other players (arrow 11); and a ‘cookbook’ for making new automated tools or ‘recipes’ (arrow 12).

  3. Fig. 1 Complex formation upon the interaction between Al and Liq molecule. Al donates charges to the LUMO of Liq molecule.

  4. Fig. 2 SRP spectra measured before and after the Al deposition on pristine Liq molecule and theoretical spectra generated from the results of DFT calculation. Figure s1. The PDOS of pristine Liq molecule and molecular structure of Liq. Fig. 3 Projected density of state of the Al–Liq complex. The solid and dotted lines represent the alpha and beta electrons originated from the open shell Al–Liq system.

  5. Figure s2. The molecular orbitals of the pristine Liq and Al-Liq complex. The original LUMO of Liq is filled with donated electrons from Al and forms a new filled state within the original gap of Liq. Fig. 5 Charge control characteristics of Liq–Al complex. Reduced band gap induces a smaller electron injection barrier from Al electrode.

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