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Dynamic Simulations of the Hydrogen-bondings on the Proximal Side of the Heme in Terms of the ABEEM/MM Method

✍ Scribed by YANG, Z; CUI, B

Book ID
123202292
Publisher
Elsevier Science
Year
2007
Weight
542 KB
Volume
23
Category
Article
ISSN
1872-1508

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Study of peptide conformation in terms o
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✍ Zhong-Zhi Yang; Qiang Zhang πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 180 KB

## Abstract The ABEEM/MM model (atom‐bond electronegativity equalization method fused into molecular mechanics) is applied to study of the polypeptide conformations. The Lennard–Jones and torsional parameters were optimized to be consistent with the ABEEM/MM fluctuating charge electrostatic potenti