We report the application of a new conformation searching algorithm called simulated annealing to the location of the global minimum energy conformation of peptides. Simulated annealing is a Metropolis Monte Car10 approach to conformation generation in which both the energy and temperature dependenc
Applications of the simulated annealing method to intermolecular interactions
โ Scribed by Shahul H. Nilar
- Publisher
- John Wiley and Sons
- Year
- 1991
- Tongue
- English
- Weight
- 535 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
โฆ Synopsis
The Simulated Annealing method using a quantum mechanical potential enera surface is used to study the interactions of molecules and the formation of clusters. The results obtained for a range of systems are in good agreement with other theoretical calculations and experimental data where available.
๐ SIMILAR VOLUMES
We describe in this article our solution to the global minimum problem which uses the simulated annealing algorithm of Kirkpatrick. This method is a Metropolis (e-AElkT) Monte Carlo sampling of conformation space with simultaneous constraint of the search by lowering the temperature T so that the se
This work presents a model based on the on-farm irrigation scheduling and the simulated annealing (SA) optimization method for agricultural water resource management. The proposed model is applied to an irrigation project located in Delta, Utah of 394)6 ha area for optimizing economic pro"ts, simula