The Monte Carlo simulated annealing method was effectively used to predict the three-dimensional structure of the carbohydrate part of two glycoproteins: 1 vsg and 2 fbj from a protein data bank, utilizing a soft-sphere potential. The result was compared both to the crystal structure and to the stru
A Monte carlo simulated annealing approach to optimization over continuous variables
β Scribed by David Vanderbilt; Steven G Louie
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 788 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0021-9991
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An algorithm for docking a flexible ligand onto a flexible or rigid receptor, using the scaled-collective-variables Monte Carlo with energy minimization approach, is presented. Energy minimization is shown to be one of the best techniques for distinguishing between native-and nonnative-generated con
A Monte Carlo model was developed to simulate the texture development during electrodeposition. In the model, a two-dimensional triangle lattice was used to map the microstructure of the deposit. As the deposit grew, previously empty lattice sites were occupied layer by layer. Each occupied lattice