基于对接和分子动力学模拟的 HDAC - 微管蛋白双重抑制剂的比较研究。
关键词: Docking Free binding energy Histone deacetylase 1 Histone deacetylase 8 Hybrid ligands Molecular dynamics simulations
Mesh : Amino Acids / chemistry Catalytic Domain Histone Deacetylase Inhibitors / chemistry Histone Deacetylases / chemistry Inhibitory Concentration 50 Ions Ligands Molecular Docking Simulation Molecular Dynamics Simulation Reproducibility of Results Thermodynamics Tubulin / chemistry Tubulin Modulators / chemistry Zinc / chemistry
来 源:
DOI:10.1016/j.jmgm.2016.10.007
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