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Results:
1-21
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Results: 21
Authors:
LI J
MURRAY CW
WASZKOWYCZ B
YOUNG SC
Citation: J. Li et al., TARGETED MOLECULAR DIVERSITY IN DRUG DISCOVERY - INTEGRATION OF STRUCTURE-BASED DESIGN AND COMBINATORIAL CHEMISTRY, Drug discovery today, 3(3), 1998, pp. 105-112
Authors:
BAXTER CA
MURRAY CW
CLARK DE
WESTHEAD DR
ELDRIDGE MD
Citation: Ca. Baxter et al., FLEXIBLE DOCKING USING TABU SEARCH AND AN EMPIRICAL ESTIMATE OF BINDING-AFFINITY, Proteins, 33(3), 1998, pp. 367-382
Authors:
ELDRIDGE MD
MURRAY CW
AUTON TR
PAOLINI GV
MEE RP
Citation: Md. Eldridge et al., EMPIRICAL SCORING FUNCTIONS .1. THE DEVELOPMENT OF A FAST EMPIRICAL SCORING FUNCTION TO ESTIMATE THE BINDING-AFFINITY OF LIGANDS IN RECEPTOR COMPLEXES, Journal of computer-aided molecular design, 11(5), 1997, pp. 425-445
Authors:
WESTHEAD DR
CLARK DE
MURRAY CW
Citation: Dr. Westhead et al., A COMPARISON OF HEURISTIC-SEARCH ALGORITHMS FOR MOLECULAR DOCKING, Journal of computer-aided molecular design, 11(3), 1997, pp. 209-228
Authors:
MURRAY CW
CLARK DE
AUTON TR
FIRTH MA
LI J
SYKES RA
WASZKOWYCZ B
WESTHEAD DR
YOUNG SC
Citation: Cw. Murray et al., PRO-SELECT - COMBINING STRUCTURE-BASED DRUG DESIGN AND COMBINATORIAL CHEMISTRY FOR RAPID LEAD DISCOVERY .1. TECHNOLOGY, Journal of computer-aided molecular design, 11(2), 1997, pp. 193-207
Authors:
CLARK DE
WESTHEAD DR
SYKES RA
MURRAY CW
Citation: De. Clark et al., ACTIVE-SITE-DIRECTED 3D DATABASE SEARCHING - PHARMACOPHORE EXTRACTIONAND VALIDATION OF HITS, Journal of computer-aided molecular design, 10(5), 1996, pp. 397-416
Authors:
CLARK DE
FIRTH MA
MURRAY CW
Citation: De. Clark et al., MOLMAKER - DE-NOVO GENERATION OF 3D DATABASES FOR USE IN DRUG DESIGN, Journal of chemical information and computer sciences, 36(1), 1996, pp. 137-145
Authors:
MURRAY CW
CLARK DE
BYRNE DG
Citation: Cw. Murray et al., PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .6. FLEXIBLE FITTING IN THE DESIGN OF PEPTIDES, Journal of computer-aided molecular design, 9(5), 1995, pp. 381-395
Authors:
FRENKEL D
CLARK DE
LI J
MURRAY CW
ROBSON B
WASZKOWYCZ B
WESTHEAD DR
Citation: D. Frenkel et al., PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .4. APPLICATION TO THE DESIGN OF PEPTIDES, Journal of computer-aided molecular design, 9(3), 1995, pp. 213-225
Authors:
WESTHEAD DR
CLARK DE
FRENKEL D
LI J
MURRAY CW
ROBSON B
WASZKOWYCZ B
Citation: Dr. Westhead et al., PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .3. A GENETIC ALGORITHM FOR STRUCTURE REFINEMENT, Journal of computer-aided molecular design, 9(2), 1995, pp. 139-148
Authors:
CLARK DE
FRENKEL D
LEVY SA
LI J
MURRAY CW
ROBSON B
WASZKOWYCZ B
WESTHEAD DR
Citation: De. Clark et al., PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .1. APPLICATION TO THE DESIGN OF ORGANIC-MOLECULES, Journal of computer-aided molecular design, 9(1), 1995, pp. 13-32
Authors:
WESTHEAD DR
COLLURA VP
ELDRIDGE MD
FIRTH MA
LI J
MURRAY CW
Citation: Dr. Westhead et al., PROTEIN FOLD RECOGNITION BY THREADING - COMPARISON OF ALGORITHMS AND ANALYSIS OF RESULTS, Protein engineering, 8(12), 1995, pp. 1197-1204
Authors:
CLARK DE
MURRAY CW
Citation: De. Clark et Cw. Murray, PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .5. TOOLS FOR THE ANALYSIS OF GENERATED STRUCTURES, Journal of chemical information and computer sciences, 35(5), 1995, pp. 914-923
Authors:
HANDY NC
MURRAY CW
AMOS RD
Citation: Nc. Handy et al., DOES FULMINIC ACID HAVE A BENT EQUILIBRIUM STRUCTURE, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 755-762
Authors:
WASZKOWYCZ B
CLARK DE
FRENKEL D
LI J
MURRAY CW
ROBSON B
WESTHEAD DR
Citation: B. Waszkowycz et al., PRO-LIGAND - AN APPROACH TO DE-NOVO MOLECULAR DESIGN .2. DESIGN OF NOVEL MOLECULES FROM MOLECULAR-FIELD ANALYSIS (MFA) MODELS AND PHARMACOPHORES, Journal of medicinal chemistry, 37(23), 1994, pp. 3994-4002
Authors:
MURRAY CW
ANDREWS JS
AMOS RD
Citation: Cw. Murray et al., THE USE OF SYMMETRY IN DIRECT MOLLER-PLESSET 2ND-ORDER CALCULATIONS, Theoretica Chimica Acta, 86(3), 1993, pp. 279-284
Authors:
HANDY NC
MURRAY CW
AMOS RD
Citation: Nc. Handy et al., STUDY OF CH4, C2H2, C2H4, AND C6H6 USING KOHN-SHAM THEORY, Journal of physical chemistry, 97(17), 1993, pp. 4392-4396
Authors:
KAIS S
HERSCHBACH DR
HANDY NC
MURRAY CW
LAMING GJ
Citation: S. Kais et al., DENSITY FUNCTIONALS AND DIMENSIONAL RENORMALIZATION FOR AN EXACTLY SOLVABLE MODEL, The Journal of chemical physics, 99(1), 1993, pp. 417-425
Authors:
MURRAY CW
HANDY NC
AMOS RD
Citation: Cw. Murray et al., A STUDY OF O-3, S-3, CH-2, AND BE-2 USING KOHN-SHAM THEORY WITH ACCURATE QUADRATURE AND LARGE BASIS-SETS, The Journal of chemical physics, 98(9), 1993, pp. 7145-7151
Authors:
HANDY NC
TOZER DJ
LAMING GJ
MURRAY CW
AMOS RD
Citation: Nc. Handy et al., ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE, Israel Journal of Chemistry, 33(3), 1993, pp. 331-344
Authors:
COLWELL SM
MURRAY CW
HANDY NC
AMOS RD
Citation: Sm. Colwell et al., THE DETERMINATION OF HYPERPOLARIZABILITIES USING DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 210(1-3), 1993, pp. 261-268
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1-21
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