Implementation of ฯ-ฯ interactions in mo
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Hitomi Yuki; Yoshikazu Tanaka; Masayuki Hata; Hidenori Ishikawa; Saburo Neya; Ty
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Article
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2007
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John Wiley and Sons
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English
โ 413 KB
## Abstract No explicit ฯโฯ interaction term has been incorporated in the conventional molecular dynamics (MD) simulation programs in spite of its significant role in the folding of biomolecules and the clustering of organic chemicals. In this article, we propose a technique to emphasize the effect