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Applications of molecular dynamics simulations in drug discovery
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Given the known pleiotropy of ETC inhibition (for example, AMPK activation and ATP depletion), these approaches will probably require context-aware deployment rather than broad application
doi: 10.1016/s0891-5849(03)00102-3
Ashfaq F, Ali Q, Haider MA, Hafeez MM, Malik A
E., Elgueta, L., Segovia, E., and Cano, M
