Monte Carlo simulated annealing

Gdanitz, R J 1992. Prediction of Molecular Crystal Stluctures by Monte Carlo Simulated Annealing Without Reference to Diffraction Data. Chemical Physics Letters 190 391-396. 

Monte Carlo/simulated annealing (MC/SA) algorithm for sequential assignment in uniformly 13C, 15N-labeled proteins [137]. The two-dimensional (2D) NCACX and NCOCX spectra measured for the fibril samples of full-length Syrian hamster prion protein (residues 23-231) have been analyzed by the MC/SA protocol, from which it has been concluded that the fibril core is formed primarily in the region of residues 173-224 [54]. 

Neumann, M.A., Tedesco, C., Destri, S., Ferro, D.R., Porzio, W., 2002, Bridging the gap - structure determination of the red polymorph of tetrahexylsexithiophene by Monte Carlo simulated annealing, first princple DFT calculations and Rietveld refinement, Journal of Applied Crystallography, 35, 3, 296-303. 

I. Shamovsky, G. Ross, R. Riopelle, and D. F. Weaver,/. Am. Chem. Soc., 118,9743 (1996). Theoretical Studies on Nerve Growth Factor Using Variable Basis Monte Carlo Simulated Annealing. 

D. Vanderbilt and S. G. Louie,/. Comput. Phys., 56,259 (1984). A Monte Carlo Simulated Annealing Approach to Optimization over Continuous Variables. 

H. Kawai, T. Kikuchi, and Y. Okamoto, Protein Engin., 3, 85 (1989). A Prediction of Tertiary Structures of Peptide by the Monte Carlo Simulated Annealing Method. 

Gdanitz, R. J. (1992). Prediction of molecular crystal structures by Monte Carlo simulated annealing without reference to diffraction data. Chem. Phys. Fett, 190, 391-6. [185]... 

Okamoto, Y. (1994). Helix-forming tendencies of nonpolar amino acids predicted by Monte Carlo simulated annealing. Proteins, 19, 14-23. 

A. P. Stevens, A. M. Gorman, C. M. Freeman, and P. A. Cox, J. Chem. Soc., Faraday Trans., 92,2065 (1996). Prediction of Template Location Via a Combined Monte Carlo-Simulated Annealing Approach. 

Powder diffraction techniques have become increasingly useful as tools for crystal structure determination especially in cases where it is sometimes difficult to get a single crystal of sufficient size and quality for traditional single-crystal studies. The solution of a structure can be considered as a three-step process (i) data collection and indexing, (ii) data preparation and Pawley refinement, and (iii) Monte Carlo simulated annealing and rigid-body Rietveld refinement. 

H. Kawai, Y. Ikamoto, M. Pukgita, Prediction of alpha-heliz folding of isolated C-peptide of ribonuclese A by Monte Carlo simulated annealing. Chemistry Letters, (1991) 213. 

Y. Okamoto, Dependence on the dielectric model and pH in a synthetic helical peptide studies by Monte Carlo simulated annealing. Biopolymers, 34 (1994) 529. 

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