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The global conformational minimum of indan-2-ol

✍ Scribed by Paolo Ottaviani; Biagio Velino; Walther Caminati

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
123 KB
Volume
795
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

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✍ David N.J. White; Christopher Morrow πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 French βš– 226 KB

Cyclic peptides fulfil a diversity of biologically important functions by acting as hormones, toxins, antiobiotics, ion carriers, inhibitors etc. and in vivo activity is intimately related to their molecular conformations.

Comparative study of global minimum ener
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✍ Klepeis, J. L.; Floudas, C. A. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 320 KB

A global optimization method is described for identifying the global minimum energy conformation, as well as lower and upper bounds on the global minimum conformer of solvated peptides. In considering the effects of hydration, two independent continuum-based solvation models are employed. The first