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Conceptual molecular quantum phase transistor based on first-principles quantum transport calculations

✍ Scribed by Qian, Zekan; Li, Rui; Zhao, Xingyu; Hou, Shimin; Sanvito, Stefano


Book ID
125450758
Publisher
The American Physical Society
Year
2008
Tongue
English
Weight
152 KB
Volume
78
Category
Article
ISSN
1098-0121

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## Abstract Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third‐generation point‐charge all‐atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtaine