The conformational equilibria of seven methyl /3-D-mannobi&de conformers have been studied theoretically in five solvents. The structure of each individual conformer has been refined by the PCILO quantum-chemical method from the seven distinct low-energy regions determined from (a,\*) maps calculate
Solvent stabilization of conformers in o-iodophenol
β Scribed by A.W. Baker; T. Shulgin
- Book ID
- 107970564
- Publisher
- Elsevier Science
- Year
- 1966
- Weight
- 819 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0371-1951
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π SIMILAR VOLUMES
## Abstract The conformational equilibria of the lowβenergy conformers of isomaltose have been studied in different solvents. The structure of each individual conformer was refined from the 18 distinct lowβenergy regions determined from potential energy function. Molecular geometry optimization was
We describe features of our methodology for predicting tertiary suuctures (i.e., conformations) of proteins in solvent just fi'om the amino-acid sequences and molecular models for the solvent. The methodology, which is a combination of the Monte Carlo simulated annealing technique and the reference