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Modeling Ionic Liquids Using a Systematic All-Atom Force Field

✍ Scribed by Canongia Lopes, José N.; Deschamps, Johnny; Pádua, Agílio A. H.

Book ID
118140928
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
165 KB
Volume
108
Category
Article
ISSN
0022-3654

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The SAAP force field. A simple approach
The SAAP force field. A simple approach to a new all-atom protein force field by using single amino acid potential (SAAP) functions in various solvents
✍ Michio Iwaoka; Shuji Tomoda 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 281 KB

A simple strategy to compose a new all-atom protein force field (named as the SAAP force field), which utilizes the single amino acid potential (SAAP) functions obtained in various solvents by ab initio molecular orbital calculation applying the isodensity polarizable continuum model (IPCM), is pres