差示溶剂 DEEP - STD NMR 和 MD 模拟使抗凝血酶对肝素寡糖的分子识别的决定因素得以解开。
关键词: DEEP-STD NMR MD simulations STD NMR glycosaminoglycan–protein interactions ligand-based NMR molecular recognition radial distribution function
Mesh : Humans Antithrombins / chemistry metabolism Binding Sites Epitope Mapping / methods Heparin / chemistry metabolism Magnetic Resonance Spectroscopy / methods Molecular Dynamics Simulation Oligosaccharides / chemistry metabolism Protein Binding Solvents / chemistry
来 源:
DOI:10.3390/ijms25094669
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