A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility
暂无分享,去创建一个
[1] EDWIN C. Webb. The Enzymes , 1961, Nature.
[2] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.
[3] F M Richards,et al. Areas, volumes, packing and protein structure. , 1977, Annual review of biophysics and bioengineering.
[4] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1978, Archives of biochemistry and biophysics.
[5] F. Allen,et al. The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information , 1979 .
[6] Dana H. Ballard,et al. Generalizing the Hough transform to detect arbitrary shapes , 1981, Pattern Recognit..
[7] M. Rossmann,et al. Structure of the active ternary complex of pig heart lactate dehydrogenase with S-lac-NAD at 2.7 A resolution. , 1981, Journal of molecular biology.
[8] J M Blaney,et al. A geometric approach to macromolecule-ligand interactions. , 1982, Journal of molecular biology.
[9] J. Bolin,et al. Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. , 1982, The Journal of biological chemistry.
[10] M. L. Connolly. Analytical molecular surface calculation , 1983 .
[11] M. L. Connolly. Solvent-accessible surfaces of proteins and nucleic acids. , 1983, Science.
[12] A. Ghose,et al. Geometrically feasible binding modes of a flexible ligand molecule at the receptor site , 1985 .
[13] I. Kuntz,et al. Docking flexible ligands to macromolecular receptors by molecular shape. , 1986, Journal of medicinal chemistry.
[14] Yehezkel Lamdan,et al. Affine invariant model-based object recognition , 1990, IEEE Trans. Robotics Autom..
[15] D. Goodsell,et al. Automated docking of substrates to proteins by simulated annealing , 1990, Proteins.
[16] I. Kuntz,et al. Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease. , 1990, Proceedings of the National Academy of Sciences of the United States of America.
[17] F. Quiocho,et al. The 2.3-A resolution structure of the maltose- or maltodextrin-binding protein, a primary receptor of bacterial active transport and chemotaxis. , 1992, The Journal of biological chemistry.
[18] Y. Martin. Computer-assisted rational drug design. , 1991, Methods in enzymology.
[19] Huajun Wang. Grid‐search molecular accessible surface algorithm for solving the protein docking problem , 1991 .
[20] Haim J. Wolfson,et al. Generalizing the generalized hough transform , 1991, Pattern Recognit. Lett..
[21] S. Kim,et al. "Soft docking": matching of molecular surface cubes. , 1991, Journal of molecular biology.
[22] Haim J. Wolfson,et al. Articulated object recognition, or: how to generalize the generalized Hough transform , 1991, Proceedings. 1991 IEEE Computer Society Conference on Computer Vision and Pattern Recognition.
[23] H. Wolfson,et al. Efficient detection of three-dimensional structural motifs in biological macromolecules by computer vision techniques. , 1991, Proceedings of the National Academy of Sciences of the United States of America.
[24] Andrew Smellie,et al. Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads , 1991, J. Chem. Inf. Comput. Sci..
[25] F. Quiocho,et al. The 2.3-A resolution structure of the maltose- or maltodextrin-binding protein, a primary receptor of bacterial active transport and chemotaxis. , 1992 .
[26] I. Kuntz. Structure-Based Strategies for Drug Design and Discovery , 1992, Science.
[27] F. Quiocho,et al. Crystallographic evidence of a large ligand-induced hinge-twist motion between the two domains of the maltodextrin binding protein involved in active transport and chemotaxis. , 1992, Biochemistry.
[28] M. Murcko,et al. Use of structural information in drug design , 1992, Current Biology.
[29] E. Katchalski‐Katzir,et al. Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[30] I. Kuntz,et al. Conformational analysis of flexible ligands in macromolecular receptor sites , 1992 .
[31] Y. Thériault,et al. Solution structure of the cyclosporin A/cyclophilin complex by NMR , 1993, Nature.
[32] J. Pandit,et al. Three-dimensional structures of the periplasmic lysine/arginine/ornithine-binding protein with and without a ligand. , 1994, The Journal of biological chemistry.
[33] M. Mizutani,et al. Rational automatic search method for stable docking models of protein and ligand. , 1994, Journal of molecular biology.
[34] Mark H. Overmars,et al. Spheres, molecules, and hidden surface removal , 1994, SCG '94.
[35] D Fischer,et al. Molecular surface representations by sparse critical points , 1994, Proteins.
[36] A. Leach,et al. Ligand docking to proteins with discrete side-chain flexibility. , 1994, Journal of molecular biology.
[37] R. Glen,et al. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. , 1995, Journal of molecular biology.
[38] R. Nussinov,et al. A geometry-based suite of molecular docking processes. , 1995, Journal of molecular biology.
[39] Kevin P. Clark,et al. Flexible ligand docking without parameter adjustment across four ligand–receptor complexes , 1995, J. Comput. Chem..
[40] Ruth Nussinov,et al. An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching , 1995, Comput. Appl. Biosci..
[41] R. Nussinov,et al. Molecular recognition via face center representation of a molecular surface. , 1996, Journal of Molecular Graphics.
[42] A. N. Jain,et al. Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites. , 1996, Chemistry & biology.
[43] Thomas Lengauer,et al. A fast flexible docking method using an incremental construction algorithm. , 1996, Journal of molecular biology.
[44] Ruth Nussinov,et al. Docking of Conformationally Flexible Proteins , 1996, CPM.
[45] P Willett,et al. Development and validation of a genetic algorithm for flexible docking. , 1997, Journal of molecular biology.
[46] R. Murray. Molecular recognition. , 2009, Analytical Chemistry.