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Results: 1-23 |
Results: 23
COMPARATIVE MOLECULAR SIMILARITY INDEXES ANALYSIS - COMSIA
Authors: KLEBE G
Citation: G. Klebe, COMPARATIVE MOLECULAR SIMILARITY INDEXES ANALYSIS - COMSIA, Perspectives in drug discovery and design, 12, 1998, pp. 87-104
FLEXS - A METHOD FOR FAST FLEXIBLE LIGAND SUPERPOSITION
Authors: LEMMEN C LENGAUER T KLEBE G
Citation: C. Lemmen et al., FLEXS - A METHOD FOR FAST FLEXIBLE LIGAND SUPERPOSITION, Journal of medicinal chemistry, 41(23), 1998, pp. 4502-4520
ENERGETIC AND ENTROPIC FACTORS DETERMINING BINDING-AFFINITY IN PROTEIN-LIGAND COMPLEXES
Authors: KLEBE G BOHM HJ
Citation: G. Klebe et Hj. Bohm, ENERGETIC AND ENTROPIC FACTORS DETERMINING BINDING-AFFINITY IN PROTEIN-LIGAND COMPLEXES, Journal of receptor and signal transduction research, 17(1-3), 1997, pp. 459-473
REVERSIBLE REDOX SYSTEM .62. 2,3-DISUBSTITUTED 1,4-BENZOQUINONES AND THEIR N,N'-DICYANIMINES - SYNTHESES, PHYSICAL-PROPERTIES, AND CT COMPLEXES WITH TTF
Authors: ERK P HUNIG S KLEBE G METZENTHIN T WERNER HP VONSCHUTZ JU
Citation: P. Erk et al., REVERSIBLE REDOX SYSTEM .62. 2,3-DISUBSTITUTED 1,4-BENZOQUINONES AND THEIR N,N'-DICYANIMINES - SYNTHESES, PHYSICAL-PROPERTIES, AND CT COMPLEXES WITH TTF, Liebigs Annalen, (6), 1997, pp. 1235-1243
A NEW FACE AND THE WISH FOR A PRODUCTIVE CONTINUITY ON A HIGH SCIENTIFIC LEVEL
Authors: KLEBE G
Citation: G. Klebe, A NEW FACE AND THE WISH FOR A PRODUCTIVE CONTINUITY ON A HIGH SCIENTIFIC LEVEL, Journal of computer-aided molecular design, 11(2), 1997, pp. 113-113
SUPERPOSITION OF MOLECULES - ELECTRON-DENSITY FITTING BY APPLICATION OF FOURIER-TRANSFORMS
Authors: NISSINK JWM VERDONK ML KROON J MIETZNER T KLEBE G
Citation: Jwm. Nissink et al., SUPERPOSITION OF MOLECULES - ELECTRON-DENSITY FITTING BY APPLICATION OF FOURIER-TRANSFORMS, Journal of computational chemistry, 18(5), 1997, pp. 638-645
OXYGEN AND NITROGEN IN COMPETITIVE SITUATIONS - WHICH IS THE HYDROGEN-BOND ACCEPTOR
Authors: BOHM HJ BRODE S HESSE U KLEBE G
Citation: Hj. Bohm et al., OXYGEN AND NITROGEN IN COMPETITIVE SITUATIONS - WHICH IS THE HYDROGEN-BOND ACCEPTOR, Chemistry, 2(12), 1996, pp. 1509-1513
WHAT CAN WE LEARN FROM MOLECULAR RECOGNITION IN PROTEIN-LIGAND COMPLEXES FOR THE DESIGN OF NEW DRUGS
Authors: BOHM HJ KLEBE G
Citation: Hj. Bohm et G. Klebe, WHAT CAN WE LEARN FROM MOLECULAR RECOGNITION IN PROTEIN-LIGAND COMPLEXES FOR THE DESIGN OF NEW DRUGS, Angewandte Chemie, International Edition in English, 35(22), 1996, pp. 2589-2614
THE MOLECULAR AND CRYSTAL-STRUCTURES OF C OPPER-COMPLEX, ALUMINUM-COMPLEX AND POTASSIUM-COMPLEX OF CYCLOMEXYL(HYDROXY)DIAZENIUM OXIDE
Authors: KLEBE G HADICKE E BOEHN KH REUTHER W HICKMANN E
Citation: G. Klebe et al., THE MOLECULAR AND CRYSTAL-STRUCTURES OF C OPPER-COMPLEX, ALUMINUM-COMPLEX AND POTASSIUM-COMPLEX OF CYCLOMEXYL(HYDROXY)DIAZENIUM OXIDE, Zeitschrift fur Kristallographie, 211(11), 1996, pp. 798-803
A FAST FLEXIBLE DOCKING METHOD USING AN INCREMENTAL CONSTRUCTION ALGORITHM
Authors: RAREY M KRAMER B LENGAUER T KLEBE G
Citation: M. Rarey et al., A FAST FLEXIBLE DOCKING METHOD USING AN INCREMENTAL CONSTRUCTION ALGORITHM, Journal of Molecular Biology, 261(3), 1996, pp. 470-489
TOWARD A MORE EFFICIENT HANDLING OF CONFORMATIONAL FLEXIBILITY IN COMPUTER-ASSISTED MODELING OF DRUG MOLECULES
Authors: KLEBE G
Citation: G. Klebe, TOWARD A MORE EFFICIENT HANDLING OF CONFORMATIONAL FLEXIBILITY IN COMPUTER-ASSISTED MODELING OF DRUG MOLECULES, Perspectives in drug discovery and design, 3, 1995, pp. 85-105
DIASTEREOSELECTIVE SYNTHESIS OF EXO-6-ARYL-3-AZABICYCLO[3.2.0]HEPTANEDERIVATIVES BY INTRAMOLECULAR [2-PHOTOCYCLOADDITIONS OF DIALLYLIC AMINES(2])
Authors: STEINER G MUNSCHAUER R KLEBE G SIGGEL L
Citation: G. Steiner et al., DIASTEREOSELECTIVE SYNTHESIS OF EXO-6-ARYL-3-AZABICYCLO[3.2.0]HEPTANEDERIVATIVES BY INTRAMOLECULAR [2-PHOTOCYCLOADDITIONS OF DIALLYLIC AMINES(2]), Heterocycles, 40(1), 1995, pp. 319-330
ANGER AND SOCIAL COMPASSION - AN INTERVIE W WITH COMPOSER KLEBE,GISELHER
Authors: TOPEL M KLEBE G
Citation: M. Topel et G. Klebe, ANGER AND SOCIAL COMPASSION - AN INTERVIE W WITH COMPOSER KLEBE,GISELHER, Musica, 49(5), 1995, pp. 367-368
SYNTHESIS, STRUCTURE AND ANTITUMOR-ACTIVITY OF NEW BENZ[D,E]ISOQUINOLINE-1,3-DIONES
Authors: BRANA MF CASTELLANO JM MORAN M EMLING F KLUGE M SCHLICK E KLEBE G WALKER N
Citation: Mf. Brana et al., SYNTHESIS, STRUCTURE AND ANTITUMOR-ACTIVITY OF NEW BENZ[D,E]ISOQUINOLINE-1,3-DIONES, Arzneimittel-Forschung, 45-2(12), 1995, pp. 1311-1318
RECOMMENDATIONS FOR COMFA STUDIES AND 3D QSAR PUBLICATIONS
Authors: THIBAUT U FOLKERS G KLEBE G KUBINYI H MERZ A ROGNAN D
Citation: U. Thibaut et al., RECOMMENDATIONS FOR COMFA STUDIES AND 3D QSAR PUBLICATIONS, Quantitative structure-activity relationships, 13(1), 1994, pp. 1-3
DIFFERENT APPROACHES TOWARD AN AUTOMATIC STRUCTURAL ALIGNMENT OF DRUGMOLECULES - APPLICATIONS TO STEROL MIMICS, THROMBIN AND THERMOLYSIN INHIBITORS
Authors: KLEBE G MIETZNER T WEBER F
Citation: G. Klebe et al., DIFFERENT APPROACHES TOWARD AN AUTOMATIC STRUCTURAL ALIGNMENT OF DRUGMOLECULES - APPLICATIONS TO STEROL MIMICS, THROMBIN AND THERMOLYSIN INHIBITORS, Journal of computer-aided molecular design, 8(6), 1994, pp. 751-778
A FAST AND EFFICIENT METHOD TO GENERATE BIOLOGICALLY RELEVANT CONFORMATIONS
Authors: KLEBE G MIETZNER T
Citation: G. Klebe et T. Mietzner, A FAST AND EFFICIENT METHOD TO GENERATE BIOLOGICALLY RELEVANT CONFORMATIONS, Journal of computer-aided molecular design, 8(5), 1994, pp. 583-606
MAPPING COMMON MOLECULAR FRAGMENTS IN CRYSTAL-STRUCTURES TO EXPLORE CONFORMATION AND CONFIGURATION-SPACE UNDER THE CONDITIONS OF A MOLECULAR ENVIRONMENT
Authors: KLEBE G
Citation: G. Klebe, MAPPING COMMON MOLECULAR FRAGMENTS IN CRYSTAL-STRUCTURES TO EXPLORE CONFORMATION AND CONFIGURATION-SPACE UNDER THE CONDITIONS OF A MOLECULAR ENVIRONMENT, Journal of molecular structure. Theochem, 114, 1994, pp. 53-89
DESCRIPTION OF COORDINATION GEOMETRY IN TETRAHEDRAL METAL-COMPLEXES BY SYMMETRY-DEFORMATION COORDINATES
Authors: KLEBE G WEBER F
Citation: G. Klebe et F. Weber, DESCRIPTION OF COORDINATION GEOMETRY IN TETRAHEDRAL METAL-COMPLEXES BY SYMMETRY-DEFORMATION COORDINATES, Acta crystallographica. Section B, Structural science, 50, 1994, pp. 50-59
COMPARISON OF AUTOMATIC 3-DIMENSIONAL MODEL BUILDERS USING 639 X-RAY STRUCTURES
Authors: SADOWSKI J GASTEIGER J KLEBE G
Citation: J. Sadowski et al., COMPARISON OF AUTOMATIC 3-DIMENSIONAL MODEL BUILDERS USING 639 X-RAY STRUCTURES, Journal of chemical information and computer sciences, 34(4), 1994, pp. 1000-1008
THE USE OF COMPOSITE CRYSTAL-FIELD ENVIRONMENTS IN MOLECULAR RECOGNITION AND THE DE-NOVO DESIGN OF PROTEIN LIGANDS
Authors: KLEBE G
Citation: G. Klebe, THE USE OF COMPOSITE CRYSTAL-FIELD ENVIRONMENTS IN MOLECULAR RECOGNITION AND THE DE-NOVO DESIGN OF PROTEIN LIGANDS, Journal of Molecular Biology, 237(2), 1994, pp. 212-235
MOLECULAR SIMILARITY INDEXES IN A COMPARATIVE-ANALYSIS (COMSIA) OF DRUG MOLECULES TO CORRELATE AND PREDICT THEIR BIOLOGICAL-ACTIVITY
Authors: KLEBE G ABRAHAM U MIETZNER T
Citation: G. Klebe et al., MOLECULAR SIMILARITY INDEXES IN A COMPARATIVE-ANALYSIS (COMSIA) OF DRUG MOLECULES TO CORRELATE AND PREDICT THEIR BIOLOGICAL-ACTIVITY, Journal of medicinal chemistry, 37(24), 1994, pp. 4130-4146
A COMPARISON OF THE CRYSTAL PACKING IN BENZENE WITH THE GEOMETRY SEENIN CRYSTALLINE CYCLOPHANE BENZENE COMPLEXES - GUIDELINES FOR RATIONALRECEPTOR DESIGN
Authors: KLEBE G DIEDERICH F
Citation: G. Klebe et F. Diederich, A COMPARISON OF THE CRYSTAL PACKING IN BENZENE WITH THE GEOMETRY SEENIN CRYSTALLINE CYCLOPHANE BENZENE COMPLEXES - GUIDELINES FOR RATIONALRECEPTOR DESIGN, Philosophical transactions-Royal Society of London. Physical sciences and engineering, 345(1674), 1993, pp. 37-48
Risultati: 1-23 |