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Comparative molecular dynamics simulations of histone deacetylase-like protein: binding modes and free energy analysis to hydroxamic acid inhibitors |
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| Authors: | Yan Chunli Xiu Zhilong Li Xiaohui Li Shenmin Hao Ce Teng Hu |
| Institution: | Department of Bioscience and Biotechnology, School of Environmental and Biological Science and Technology, Dalian University of Technology, Dalian 116024, People's Republic of China. |
| Abstract: | |
| Keywords: | histone deacetylase histone deacetylase‐like protein molecular dynamics simulation molecular mechanics‐Poisson‐Boltzmann surface area (MM‐PBSA) method molecular mechanics generalized Born surface area (MM‐GBSA) mutagenesis hydroxamic acid inhibitor |
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