M. Nilges, A. M. Gronenborn, A. T. Brunger, and G. M. Clore, "Determination of ThreeDimensional Structures of Proteins by Simulated Annealing with Interproton Distance Restraints. Application to Crambin, Potato Carboxypeptidase Inhibitor and Barley Serine Proteinase Inhibitor 2", Protein Eng., vol. 2, no. 1, pp. 27-38, 1988. Home/Search Document Not in Database Summary Related Articles Check |
This paper is cited in the following contexts:
Molecular Structure Computation from Multiple Data Sources - Chen (2000) (Correct)
....used to study the folding process of proteins but may also be used to refine a structure by allowing it to reach equilibrium. For several small molecules, MD under simulated annealing of temperature has been demonstrated to evolve the correct structure, even from random starting configurations [71, 72], attesting to the soundness and robustness of the approach. MD is in a class of computational problems known as N body simulations. However, unlike other classical N body applications [8, 39, 40] for MD in practice, the summation of (non bonded) physical forces on each particle is truncated ....
M. Nilges, A. M. Gronenborn, A. T. Brunger, and G. M. Clore, "Determination of ThreeDimensional Structures of Proteins by Simulated Annealing with Interproton Distance Restraints. Application to Crambin, Potato Carboxypeptidase Inhibitor and Barley Serine Proteinase Inhibitor 2", Protein Eng., vol. 2, no. 1, pp. 27-38, 1988.
Molecular Structure Computation from Multiple Data Sources - Chen (2000) (Correct)
....used to study the folding process of proteins but may also be used to refine a structure by allowing it to reach equilibrium. For several small molecules, MD under simulated annealing of temperature has been demonstrated to evolve the correct structure, even from random starting configurations [71, 72], attesting to the soundness and robustness of the approach. MD is in a class of computational problems known as N body simulations. However, unlike other classical N body applications [8, 39, 40] for MD in practice, the summation of (non bonded) physical forces on each particle is truncated ....
M. Nilges, G. M. Clore, and A. M. Gronenborn, "Determination of Three-Dimensional Structures of Proteins from Interproton Distance Data by Dynamical Simulated Annealing from a Random Array of Atoms", FEBS Lett., vol. 239, pp. 129-136, 1988.
Global Optimization Approaches in Protein Folding and.. - Floudas, Klepeis.. (1999) (Correct)
....may, in part, be attributed to differences in modeling (e.g. keeping certain variables fixed) it also demonstrates the stochastic nature of this technique. Nevertheless, the general simulated annealing approach, due to its simplistic form, has been applied to a large variety of peptide examples [125, 128, 133, 135, 165]. In order to overcome some of the inherent limitations of the basic simulated annealing technique, a combined Monte Carlo and energy minimization approach has also been proposed [104, 105] This Monte Carlo Minimization (MCM) technique employs a local minimization of each conformation before ....
M. Nilges, A. M. Gronenborn, A. T. Brunger and G. M. Clore, Determination of threedimensional structure of proteins by simulated annealing with interproton distance restraints. Application to crambin, potato carboxy peptidase inhibitor and barley serine proteinase inhibitor 2, Protein Eng., 2, (1988), 27-38.
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