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Importance of hydrogen bond acceptor ability in design of host molecules capable of molecular recognition

✍ Scribed by Neder, K. M.; Whitlock, H. W.


Book ID
126985095
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
381 KB
Volume
112
Category
Article
ISSN
0002-7863

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Importance of CH/Ο€ hydrogen bonds in rec
✍ Tomonaga Ozawa; Kosuke Okazaki; Kazuo Kitaura πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 372 KB πŸ‘ 1 views

## Abstract We examined CH/Ο€ hydrogen bonds in protein/ligand complexes involving at least one proline residue using the __ab initio__ fragment molecular orbital (FMO) method and the program CHPI. FMO calculations were carried out at the Hartree–Fock (HF)/6‐31G\*, HF/6‐31G\*\*, second‐order MΓΈller–