A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
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Yvonne C. Martin | Mark G. Bures | Elizabeth A. Danaher | Jerry DeLazzer | Patricia A. Pavlik | Isabella Lico | Y. Martin | M. Bures | P. A. Pavlik | E. Danaher | I. Lico | J. DeLazzer
[1] Flemming Jørgensen,et al. Frontiers in drug research : crystallographic and computational methods : proceedings of the Alfred Benzon Symposium 28 held at the premises of the Royal Danish Academy of Sciences and Letters, Copenhagen June 11-15, 1989 , 1990 .
[2] R. Sheridan,et al. The ensemble approach to distance geometry: application to the nicotinic pharmacophore. , 1986, Journal of medicinal chemistry.
[3] Olga Kennard,et al. Hydrogen-bond geometry in organic crystals , 1984 .
[4] V. Bertolasi,et al. Stereochemical features controlling binding and intrinsic activity properties of benzodiazepine-receptor ligands. , 1987, Molecular pharmacology.
[5] Owen Johnson,et al. The development of versions 3 and 4 of the Cambridge Structural Database System , 1991, J. Chem. Inf. Comput. Sci..
[6] J M Blaney,et al. A geometric approach to macromolecule-ligand interactions. , 1982, Journal of molecular biology.
[7] Joseph B. Moon,et al. 3D database searching and de novo construction methods in molecular design , 1990 .
[8] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[9] P M Dean,et al. The search for functional correspondences in molecular structure between two dissimilar molecules. , 1985, Journal of theoretical biology.
[10] P. Dean,et al. Molecular recognition: 3d surface structure comparison by gnomonic , 1987 .
[11] Robert B. Hermann,et al. OVID and SUPER: Two overlap programs for drug design , 1991, J. Comput. Aided Mol. Des..
[12] Professor Dr. George A. Jeffrey,et al. Hydrogen Bonding in Biological Structures , 1991, Springer Berlin Heidelberg.
[13] P. Dean,et al. Statistical method for surface pattern-making between dissimilar molecules: electrostatic potentials and accessible surfaces , 1986 .
[14] Jack D. Dunitz,et al. Lone-pair directionality in hydrogen-bond potential functions for molecular mechanics calculations: the inhibition of human carbonic anhydrase II by sulfonamides , 1985 .
[15] Y. Martin,et al. 3D database searching in drug design. , 1992, Journal of medicinal chemistry.
[16] Yvonne C. Martin,et al. ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures , 1989, J. Comput. Aided Mol. Des..
[17] R. Wade,et al. New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure. , 1989, Journal of medicinal chemistry.
[18] G M Crippen,et al. Distance geometry approach to rationalizing binding data. , 1979, Journal of medicinal chemistry.
[19] P. Dean,et al. Molecular recognition: optimized searching through rotational 3-space for pattern matches on molecular surfaces , 1987 .
[20] T. Heffner,et al. Dopamine autoreceptor agonists as potential antipsychotics. 3.6-Propyl-4,5,5a,6,7,8-hexahydrothiazolo[4,5-f]quinolin-2-amine. , 1991, Journal of medicinal chemistry.
[21] A. Hopfinger. Computer-assisted drug design. , 1985, Journal of medicinal chemistry.
[22] Dennis H. Smith,et al. Computer-assisted examination of compounds for common three-dimensional substructures , 1983, Journal of chemical information and computer sciences.
[23] J M Thornton,et al. Distributions of water around amino acid residues in proteins. , 1988, Journal of molecular biology.
[24] Yuichi Kato,et al. A novel method for superimposing molecules and receptor mapping , 1987 .
[25] Peter Murray-Rust,et al. Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions , 1984 .
[26] G M Crippen,et al. Distance geometry analysis of the benzodiazepine binding site. , 1982, Molecular pharmacology.
[27] P.-L. Chau,et al. Molecular recognition: blind-searching for regions of strong structural match on the surfaces of two dissimilar molecules , 1988 .
[28] J. Nilsson,et al. Dopamine D2 receptor binding sites for agonists. A tetrahedral model. , 1985, Molecular pharmacology.
[29] Camille-Georges Wermuth,et al. The active analog approach applied to the pharmacophore identification of benzodiazepine receptor ligands , 1987, J. Comput. Aided Mol. Des..
[30] J M Blaney,et al. Electrostatic potential molecular surfaces. , 1982, Proceedings of the National Academy of Sciences of the United States of America.
[31] Michael Jan. Williams,et al. Receptor pharmacology and function , 1989 .
[32] Y. Martin. Computer-assisted rational drug design. , 1991, Methods in enzymology.
[33] S H Snyder,et al. Anxiolytic cyclopyrrolones zopiclone and suriclone bind to a novel site linked allosterically to benzodiazepine receptors. , 1984, Molecular pharmacology.
[34] D. K. Friesen,et al. A combinatorial algorithm for calculating ligand binding , 1984 .
[35] Garland R. Marshall,et al. The Conformational Parameter in Drug Design: The Active Analog Approach , 1979 .
[36] Peter Willett,et al. Algorithms for the identification of three-dimensional maximal common substructures , 1987, J. Chem. Inf. Comput. Sci..
[37] J. Ippolito,et al. Hydrogen bond stereochemistry in protein structure and function. , 1990, Journal of molecular biology.
[38] P. W. Codding,et al. Molecular structure of Ro15-1788 and a model for the binding of benzodiazepine receptor ligands. Structural identification of common features in antagonists. , 1985, Molecular pharmacology.
[39] 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..