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In Silico Evaluation and Simulation-Based Prioritization of Herbicide-like Compounds Targeting Phalaris Minor Acetyl-CoA Carboxylase

ACS AGRICULTURAL SCIENCE & TECHNOLOGY(2025)

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关键词
Phalaris minor,herbicide resistant,moleculardynamics simulation (MD),binding free energy,virtualscreening,free energy landscape,acetyl-CoA carboxylase
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