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Operating mechanism and molecular dynamics of pheromone-binding protein ASP1 as influenced by pH.

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Academic year: 2017

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Figure 3. Distribution of ionizable residues versus the cavity. (A) Ionizable residues are highlighted by ball-and-stick model with different colors, aspartic acid (blue), glutamic acid (green) and histidine (gold); (B) The cavity residues, 5 A˚ from ligan
Figure 5. The time evolution of secondary structure and H -bond of holo -state simulated at pH 4.5 and pH 7.0 conditions
Table 1. Hydrogen bonds occupancy in ASP1 at different pH conditions.

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