Development of a new physics-based inter
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Yelena A. Arnautova; Ruben A. Abagyan; Maxim Totrov
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Article
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2010
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John Wiley and Sons
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English
⚖ 815 KB
## Abstract We report the development of internal coordinate mechanics force field (ICMFF), new force field parameterized using a combination of experimental data for crystals of small molecules and quantum mechanics calculations. The main features of ICMFF include: (a) parameterization for the die