Comparison between the experimental binding and the MC+Vina calculated BE.
- Anna Russo (781286)
- Pasqualina Liana Scognamiglio (781287)
- Rolando Pablo Hong Enriquez (781288)
- Carlo Santambrogio (781289)
- Rita Grandori (249174)
- Daniela Marasco (311168)
- Antonio Giordano (55096)
- Giacinto Scoles (659304)
- Sara Fortuna (770530)
Publication date
August 2015
DOIAbstract
<p>The BE errorbars are standard errors of the means over 10 samples, while the experimental errobars are calculated as σ<sub>ΔG</sub> = 0.434(σ<sub>kD</sub>/k<sub>D</sub>),. Docking into maltose site of peptides: (a) MBP-6, (b) MBP-1, (c) MBP-8, (d) MBP-3, (e) MBP-9. Highlighted with their Van der Waals spheres the MBP aromatic side chains involved in the binding (Tyr 155 219 34, Phe 337, Trp 62 340 230) and in black those capable of hydrogen bonding (Ser 337, Asp 14, Arg 66 344, Lys 297, Glu 153 44 45).</p
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