Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design-论文-万方医学网

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Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design

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第一作者： Gulistan, T

作者： Gulistan, T ^[1] ; Ahmad, S ; Azam, SS

作者单位： Quaid I Azam Univ ^[1]

关键词 Acinetobacter baumanii KdsC enzyme Asinex antibacterial library Molecular docking Molecular dynamics simulation Binding free energy WaterSwap Alanine scanning DRUG DISCOVERY PROTEIN-STRUCTURE MEDICINAL CHEMISTRY UCSF CHIMERA OPTIMIZATION VALIDATION PRINCIPLES STRATEGIES PREDICTION RESISTANCE

发布时间 2022-10-20

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Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design

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Conformational transition of Acinetobacter baumannii KdsC enzyme and the role of magnesium in binding: An insight from comparative molecular dynamics simulation and its implications in novel antibiotics design

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