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Full geometry optimizations, relaxed scans and transition structure searches were carried out with Gaussian 16 83 with the ONIOM 84 QM/MM method using the B3LYP hybrid functional 85 and 6-31 G(d) basis set with ultrafine integration grids for the QM part and the ff14SB 78 , gaff2 79 and TIP3P 86 force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding

In recent years, numerous studies have been conducted to investigate the involvement of H 2 S in the development of pulmonary hypertension

Trial of Org 10172 in Acute Stroke Treatment

The targeting of transcription factors and epigenetic regulators to modulate autophagy has gained attention as a therapeutic strategy