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A Simple Approach to Nonspherical Electron Densities by Using Invarioms

✍ Scribed by Birger Dittrich; Tibor Koritsánszky; Peter Luger


Publisher
John Wiley and Sons
Year
2004
Tongue
English
Weight
179 KB
Volume
43
Category
Article
ISSN
0044-8249

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The SAAP force field. A simple approach
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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