High-throughput Virtual Screening and Molecular Dynamics Simulation Reveals NPC170742 a Novel Chalconoid Compound As a Potential Inhibitor of D-glycero-D-manno-heptose-1,7-bisphosphate 7-Phosphatase in Helicobacter Pylori.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS（2024）
关键词
Virtual screening,induced fit docking,molecular,dynamics simulation,gastric ulcer,drug discovery
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