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Computational predictions of volatile anesthetic interactions with the microtubule cytoskeleton: implications for side effects of general anesthesia

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Academic year: 2021

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Figure 1. Tubulin in MT formation. (A) Tubulin dimer. Light grey –a-tubulin, Dark Grey – b-tubulin
Table 1. Percent of simulation for the dominant tubulin conformations.
Figure 5). Blind docking of the halothane molecule to each of the tail conformations resulted in various binding locations and in poses dependent on the sequence of the tail, as well as the specific tail conformation
Figure 3. Putative volatile anesthetic binding sites on the tubulin body. (A) 47 total sites (red spheres) with persistence ranging from 0.80%
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