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The molecular dynamics calculations proposed that the intrinsic interaction with N-acetylglucosamine at the cell wall and the high-efficiency synergistic effect of sulfur-doped graphene and MoO x played the key role in inhibiting the viability of bacteria. This work provides new insights for a novel structure design and opens up a potential route to construct antibacterial agents with high efficiency for clinical application.Molecular motors, such as myosin, kinesin, and dynein, convert the energy released by the hydrolysis of ATP into mechanical work, thus