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Results:
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Results: 25
Authors:
Xue, L
Godden, JW
Stahura, FL
Bajorath, J
Citation: L. Xue et al., A dual fingerprint-based metric for the design of focused compound libraries and analogs, J MOL MODEL, 7(5), 2001, pp. 125-131
Rational drug discovery revisited: interfacing experimental programs with bio- and chemo-informatics
Authors:
Bajorath, J
Citation: J. Bajorath, Rational drug discovery revisited: interfacing experimental programs with bio- and chemo-informatics, DRUG DISC T, 6(19), 2001, pp. 989-995
Authors:
Godden, JW
Bajorath, J
Citation: Jw. Godden et J. Bajorath, Differential shannon entropy as a sensitive measure of differences in database variability of molecular descriptors, J CHEM INF, 41(4), 2001, pp. 1060-1066
Authors:
Xue, L
Stahura, FL
Godden, JW
Bajorath, J
Citation: L. Xue et al., Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations, J CHEM INF, 41(3), 2001, pp. 746-753
Authors:
Bajorath, J
Citation: J. Bajorath, Selected concepts and investigations in compound classification, moleculardescriptor analysis, and virtual screening, J CHEM INF, 41(2), 2001, pp. 233-245
Authors:
Xue, L
Stahura, FL
Godden, JW
Bajorath, J
Citation: L. Xue et al., Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods, J CHEM INF, 41(2), 2001, pp. 394-401
Authors:
Xue, L
Bajorath, J
Citation: L. Xue et J. Bajorath, Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening, COMB CHEM H, 3(5), 2000, pp. 363-372
Authors:
Bowen, MA
Aruffo, AA
Bajorath, J
Citation: Ma. Bowen et al., Cell surface receptors and their ligands: In vitro analysis of CD6-CD166 interactions, PROTEINS, 40(3), 2000, pp. 420-428
Authors:
Bajorath, J
Citation: J. Bajorath, Molecular organization, structural features, and ligand binding characteristics of CD44, a highly variable cell surface glycoprotein with multiple functions, PROTEINS, 39(2), 2000, pp. 103-111
Authors:
Xue, L
Godden, JW
Bajorath, J
Citation: L. Xue et al., Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity, J CHEM INF, 40(5), 2000, pp. 1227-1234
Authors:
Stahura, FL
Godden, JW
Xue, L
Bajorath, J
Citation: Fl. Stahura et al., Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculations, J CHEM INF, 40(5), 2000, pp. 1245-1252
Authors:
Godden, JW
Stahura, FL
Bajorath, J
Citation: Jw. Godden et al., Variability of molecular descriptors in compound databases revealed by Shannon entropy calculations, J CHEM INF, 40(3), 2000, pp. 796-800
Authors:
Xue, L
Bajorath, J
Citation: L. Xue et J. Bajorath, Molecular descriptors for effective classification of biologically active compounds based on principal component analysis identified by a genetic algorithm, J CHEM INF, 40(3), 2000, pp. 801-809
Authors:
Godden, JW
Xue, L
Bajorath, J
Citation: Jw. Godden et al., Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients, J CHEM INF, 40(1), 2000, pp. 163-166
Authors:
Bajorath, J
Citation: J. Bajorath, A molecular model of inducible costimulator protein and three-dimensional analysis of its relation to the CD28 family of T cell-specific costimulatory receptors, J MOL MODEL, 5(9), 1999, pp. 169-176
Authors:
Xue, L
Bajorath, J
Citation: L. Xue et J. Bajorath, Distribution of molecular scaffolds and R-groups isolated from large compound databases, J MOL MODEL, 5(5), 1999, pp. 97-102
Authors:
Bajorath, J
Citation: J. Bajorath, Three-dimensional analysis of CD6 site-directed mutagenesis and monoclonalantibody binding studies using the x-ray structure of mac-2 binding protein and a molecular model of the CD6 ligand binding domain, J MOL MODEL, 5(11), 1999, pp. 263-270
Authors:
Cunningham, MD
Bajorath, J
Somerville, JE
Darveau, RP
Citation: Md. Cunningham et al., Escherichia coli and Porphyromonas gingivalis lipopolysaccharide interactions with CD14: Implications for myeloid and nonmyeloid cell activation, CLIN INF D, 28(3), 1999, pp. 497-504
Authors:
Bajorath, J
Citation: J. Bajorath, Analysis of Fas-ligand interactions using a molecular model of the receptor-ligand interface, J COMPUT A, 13(4), 1999, pp. 409-418
Authors:
Bajorath, J
Citation: J. Bajorath, Identification of the ligand binding site in Fas (CD95) and analysis of Fas-ligand interactions, PROTEINS, 35(4), 1999, pp. 475-482
Authors:
Godden, JW
Stahura, FL
Bajorath, J
Citation: Jw. Godden et al., Statistical analysis of computational docking of large compound data basesto distinct protein binding sites, J COMPUT CH, 20(15), 1999, pp. 1634-1643
Authors:
Xue, L
Godden, JW
Bajorath, J
Citation: L. Xue et al., Database searching for compounds with similar biological activity using short binary bit string representations of molecules, J CHEM INF, 39(5), 1999, pp. 881-886
Authors:
Xue, L
Godden, J
Gao, H
Bajorath, J
Citation: L. Xue et al., Identification of a preferred set of molecular descriptors for compound classification based on principal component analysis, J CHEM INF, 39(4), 1999, pp. 699-704
Authors:
Gao, H
Williams, C
Labute, P
Bajorath, J
Citation: H. Gao et al., Binary quantitative structure-activity relationship (QSAR) analysis of estrogen receptor ligands, J CHEM INF, 39(1), 1999, pp. 164-168
Authors:
Gao, H
Bajorath, J
Citation: H. Gao et J. Bajorath, Comparison of binary and 2D QSAR analyses using inhibitors of human carbonic anhydrase II as a test case, MOL DIVERS, 4(2), 1998, pp. 115-130
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1-25
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