Conformational analysis—CX : Applications of the molecular mechanics method to organic halides
✍ Scribed by A.Y. Meyer; N.L. Allinger
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- French
- Weight
- 747 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Conformational equilibria of mono-, di-, and trimethylisochromanes substituted in the heterocyclic ring are calculated by the MMP2(85) force field program. The results are in generally good agreement with the experimental findings of Pihlaja et al. The accuracy of experimental studies based on vicin
Conformational analysis of 20 neolignans was performed to determine the most probable conformer that may fit the receptor. The molecular Ž . mechanics method MM2 was employed to construct conformational maps in both a vacuum and a biological environment. Boltzmann's distribution among several local
## Abstract In two‐dimensional conformational analysis the current practice is to perform an energy minimization for all possible combinations of two dihedral angles in the molecule, in a fixed order, and apply a certain dihedral angle step‐size. A newly developed method is presented in which the o
The recently reported Random Incremental Pulse Search (RIPS) technique has been used to probe the conformational energy surface of cyclononane. The stochastic method permits searching of the potential energy surface for all minimum-energy conformations. The search located all previously reported str
The Electrostatically Driven Monte Carlo (EDMC)method was applied in a study of a decamer of glycine whose conformational behavior is described by the Empirical Conformational Energy Program for Peptides (ECEPPIB) potential energy model. When free neutral end groups were used, it was found that conf