## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
Determination of Potential Parameters for Amino Acid Zwitterions
β Scribed by Kwon, Oh Young; Kim, Su Yeon; No, Kyoung Tai; Kang, Young Kee; Jhon, Mu Shik; Scheraga, Harold A.
- Book ID
- 121289522
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 698 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
## Abstract Understanding the conformational flexibility of amino acid zwitterions (ZWs) and their associated conformational energies is crucial for predicting their interactions in biological systems. Gasβphase __ab initio__ calculations of ZWs are intractable. Molecular mechanics (MM), on the oth
Atomic radii have been derived for the common amino acid side Ε½ . chains using a solvent interaction potential SIP based on quantum mechanically derived charges. Solvation energies calculated using these parameters are compared with those obtained using other sets of radii and charges, and from alte