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Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations

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第一作者： Samanta, Pabitra Narayan

作者： Samanta, Pabitra Narayan ^[1] ; Das, Kalyan Kumar ^[1]

作者单位： Jadavpur Univ, Chem Phys Sect, Dept Chem, Kolkata 700032, India ^[1]

关键词 Molecular docking QM/MM Human carbonic anhydrase II Inhibitor potency NBO Electron density map

发布时间 2017-04-05

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Journal of molecular graphics & modelling

2016年63卷

38-48页

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Journal of molecular graphics & modelling

2016年63卷

38-48页

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Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations

Journal of molecular graphics & modelling

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Journal of molecular graphics & modelling

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Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations

Journal of molecular graphics & modelling

相似文献

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Journal of molecular graphics & modelling

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