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Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors

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作者： Dushanan, Ramachandren ^[1] ; Weerasinghe, Samantha ^[2] ; Dissanayake, Dhammike P. ; Senthilinithy, Rajendram

作者单位： Open Univ Sri Lanka ^[1] Univ Colombo ^[2]

关键词 HDAC enzyme ab initio QM MM MD simulation ONIOM HISTONE DEACETYLASE INHIBITOR STRUCTURAL INSIGHTS HYDROXAMIC ACIDS BINDING-ENERGY TUMOR-CELLS IN-VITRO PK(A)SIMULATION TARGET DERIVATIVES

发布时间 2023-02-24

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Molecular simulation

2022年48卷16/18期

1464-1475页

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Molecular simulation

2022年48卷16/18期

1464-1475页

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Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors

Molecular simulation

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Molecular simulation

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Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors

Molecular simulation

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Molecular simulation

相关期刊

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