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Elastic Properties of Single Amylose Chains in Water: A Quantum Mechanical and AFM Study

✍ Scribed by Lu, Zhenyu; Nowak, Wieslaw; Lee, Gwangrog; Marszalek, Piotr E.; Yang, Weitao

Book ID
127056180
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
342 KB
Volume
126
Category
Article
ISSN
0002-7863

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## Abstract An __ab initio__ quantum mechanical charge field molecular dynamics simulation was carried out for one methanol molecule in water to analyze the structure and dynamics of hydrophobic and hydrophilic groups. It is found that water molecules around the methyl group form a cage‐like struct