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doi: 10.1038/s41929-022-00798-z 98 LiY.ZhaoZ.BaiF

MD simulation and total binding free energy estimation The MD simulation was conducted to evaluate the relative binding stability and structural characteristics of the 1T48 protein system complexed with either the native ligand or ondansetron

V., Ryzhak, G

Molecules (2009) 14(6):201631

By eliminating acetyl groups from the lysine residues of proteins, HDACs not only inhibit gene transcription, but also cause alternative post-translational lysine modifications including methylation, ubiquitination, and sumoylation [36]