Differential Solvent DEEP-STD NMR and MD Simulations Enable the Determinants of the Molecular Recognition of Heparin Oligosaccharides by Antithrombin to Be Disentangled
International journal of molecular sciences（2024）
关键词
ligand-based NMR,STD NMR,DEEP-STD NMR,MD simulations,radial distribution function,molecular recognition,glycosaminoglycan-protein interactions
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