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Single-point energies were calculated on the optimized geometries using the B97X-D hybrid functional 87 and the 6-311 + G(2d,p) basis set with ultrafine integration grids for the QM part and the ff14SB, gaff2 and TIP3P force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding
Araujo F, Fonte P, Santos HA, Sarmento B
Patients should seek immediate emergency care (call 999 or attend A&E) if light-headedness is accompanied by chest pain, severe breathlessness, palpitations with irregular heartbeat, slurred speech, facial drooping, weakness or numbness on one side of the body, severe headache, loss of consciousness, or seizures
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Fourth, what happens if you experience side effects or need to switch medications