Mechanism Investigation of Highly Selective Inhibitors Toward Phosphodiesterase 5 and 6 Via the in Vitro Calculation and Simulation
Frontiers in Chemistry（2024）
关键词
phosphodiesterase 5 (PDE5) inhibitors,selectivity,molecular dynamics (MD) simulations,quantum mechanics/molecular mechanics (QM/MM),independent gradient model (IGM) analysis
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