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.
Comparison of global-minimum-energy conformations of phospholipids
โ Scribed by Igor L. Shamovsky; Irina Yu. Yarovskaya
- Book ID
- 113257178
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 640 KB
- Volume
- 236
- Category
- Article
- ISSN
- 0166-1280
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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
## Abstract The conformational energy of acetylcholine is minimized with respect to the distances between nonbonded atoms with the help of the Bremermann method of unconstrained global optimization. The set of distances for which the energy is the absolute minimum is then used to calculate the coor