Similarity recognition of molecular structures by optimal atomic matching and rotational superposition
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[1] J. Munkres. ALGORITHMS FOR THE ASSIGNMENT AND TRANSIORTATION tROBLEMS* , 1957 .
[2] D. Theobald. short communications Acta Crystallographica Section A Foundations of , 2005 .
[3] J. Doye,et al. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms , 1997, cond-mat/9803344.
[4] Robert P Sheridan,et al. Why do we need so many chemical similarity search methods? , 2002, Drug discovery today.
[5] Michael W. Mahoney,et al. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions , 2000 .
[6] Janet M. Thornton,et al. An algorithm for constraint-based structural template matching: application to 3D templates with statistical analysis , 2003, Bioinform..
[7] R. Nussinov,et al. Three‐dimensional, sequence order‐independent structural comparison of a serine protease against the crystallographic database reveals active site similarities: Potential implications to evolution and to protein folding , 1994, Protein science : a publication of the Protein Society.
[8] Lydia E. Kavraki,et al. Algorithms for Structural Comparison and Statistical Analysis of 3D Protein Motifs , 2004, Pacific Symposium on Biocomputing.
[9] Dieter Jungnickel,et al. Graphs, Networks, and Algorithms , 1980 .
[10] Peter Willett,et al. Development of an atom mapping procedure for similarity searching in databases of three‐dimensional chemical structures , 1991 .
[11] H. Kuhn. The Hungarian method for the assignment problem , 1955 .
[12] J. Thornton,et al. Tess: A geometric hashing algorithm for deriving 3D coordinate templates for searching structural databases. Application to enzyme active sites , 1997, Protein science : a publication of the Protein Society.
[13] Riccardo Ferrando,et al. Searching for the optimum structures of alloy nanoclusters. , 2008, Physical chemistry chemical physics : PCCP.
[14] Conrad C. Huang,et al. MINRMS: an efficient algorithm for determining protein structure similarity using root-mean-squared-distance , 2003, Bioinform..
[15] R. Diamond. A note on the rotational superposition problem , 1988 .
[16] Peter Willett,et al. Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances , 1991, J. Comput. Aided Mol. Des..
[17] Stefan Goedecker,et al. The performance of minima hopping and evolutionary algorithms for cluster structure prediction. , 2009, The Journal of chemical physics.
[18] G J Kleywegt,et al. Recognition of spatial motifs in protein structures. , 1999, Journal of molecular biology.
[19] H. W. Kuhn,et al. Variants of the hungarian method for assignment problems , 1956 .
[20] John M. Barnard,et al. Chemical Similarity Searching , 1998, J. Chem. Inf. Comput. Sci..
[21] Berthold K. P. Horn,et al. Closed-form solution of absolute orientation using unit quaternions , 1987 .
[22] C. Sander,et al. Protein structure comparison by alignment of distance matrices. , 1993, Journal of molecular biology.
[23] David J. Wales,et al. Global minima for water clusters (H2O)n, n ⩽ 21, described by a five-site empirical potential , 2005 .
[24] A. Anderson. The process of structure-based drug design. , 2003, Chemistry & biology.
[25] M. Sierka,et al. Structural diversity and flexibility of MgO gas-phase clusters. , 2011, Angewandte Chemie.
[26] Marek Sierka,et al. Synergy between theory and experiment in structure resolution of low-dimensional oxides , 2010 .
[27] S. Kearsley. On the orthogonal transformation used for structural comparisons , 1989 .
[28] P E Bourne,et al. Protein structure alignment by incremental combinatorial extension (CE) of the optimal path. , 1998, Protein engineering.
[29] P. Willett,et al. A graph-theoretic approach to the identification of three-dimensional patterns of amino acid side-chains in protein structures. , 1994, Journal of molecular biology.
[30] Allegra Via,et al. FunClust: a web server for the identification of structural motifs in a set of non-homologous protein structures , 2008, BMC Bioinformatics.