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The downside of this strategy is speed: consistent performance requires thorough conformer searching for each microstate and large numbers of geometry optimizations, which mean that a single microscopic p K a value can easily take hours or days of time even on high-performance computing infrastructure

Estrogen-dependent effects of 5-hydroxytryptophan on cortical spreading depression in rat: modelling the serotonin-ovarian hormone interaction in migraine aura

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