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Analysis of surface structures of hydrogen bonding in protein–ligand interactions using the alpha shape model

✍ Scribed by Zhou, Weiqiang; Yan, Hong; Hao, Quan

Book ID
123601425
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
540 KB
Volume
545
Category
Article
ISSN
0009-2614

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## Abstract The structures, redshifts, binding energies, Bader analysis, and shared‐electron numbers (SENs) of 1,3‐dihydrobenzimidazole‐2‐thione (DBS) derivatives hydrogen bonded to glycinamide were calculated by the means of DFT methods. The DBS–glycinamide complex serves as a model for human immu