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A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors

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第一作者： Moitessier N

作者： Moitessier N ^[1] ; Therrien E ^[2] ; Hanessian S

作者单位： McGill Univ, Dept Chem, Montreal, PQ H3A 2K6, Canada ^[1] Univ Montreal, Dept Chem, Montreal, PQ H3C 3J7, Canada ^[2]

关键词 SIDE-CHAIN FLEXIBILITY MOLECULAR-DYNAMICS SIMULATION ASPARTIC PROTEASE INHIBITORS FREE-ENERGY CALCULATIONS BINDING AFFINITIES AUTOMATED DOCKING ALZHEIMERS-DISEASE DRUG DESIGN HYDROXYETHYLENE ISOSTERES STEREOSELECTIVE-SYNTHESIS

发布时间 2013-11-20

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Journal of Medicinal Chemistry

2006年49卷20期

5885-5894页

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Journal of Medicinal Chemistry

2006年49卷20期

5885-5894页

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A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors

Journal of Medicinal Chemistry

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Journal of Medicinal Chemistry

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A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors

Journal of Medicinal Chemistry

相似文献

同项目论文

Journal of Medicinal Chemistry

相关期刊

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