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FigureS1ThewildtypeCHOcells:图1野生型首席人事官细胞.pdf
Electronic Supplementary Material (ESI) for Medicinal Chemistry Communications
This journal is © The Royal Society of Chemistry 2011
1
2
3 Figure S1. The wild type CHO cells do not adhere to collagen I, and neither do CHO-α2 or
4 CHO-wt cells adhere to plastic.
5
6
Electronic Supplementary Material (ESI) for Medicinal Chemistry Communications
This journal is © The Royal Society of Chemistry 2011
1 Materials and Methods
2 Molecular modeling
3 All molecules during the development process were sketched by using Sybyl 7 (Tripos Inc., St. Louis, MO, USA), and energy
1
4 minimized using the Merck molecular force field (MMFF94) and conjugate gradient method until the energy gradient was less
2
5 than 0.05 kcal/mol. Energy minimized molecules were docked to the closed conformation of α2I domain with Gold3.1.1. using
6 search area of a 15 Å radius sphere centered at the Mg2+ ion. Gold was selected for this study, because the scoring function has
7 been developed by using the small molecule crystal structure data, and the metal coordination geometries are properly described.
8 Protein structures were acquired from the PDB 3. Hydrogen atoms were added to the protein structure with Sybyl. Protonation of
9 histidines was selected on the basis of hydrogen bonding with nearby atoms. All docking results were visually inspected by using
4
10 Bodil Modeling Enviro
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