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La ricerca find articoli where soggetti phrase all words 'DRUG DESIGN' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 1032 riferimenti
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    1. Tasso, SM; Bruno-Blanch, LE; Estiu, GL
      Pharmacophore model for antiepileptic drugs acting on sodium channels

      JOURNAL OF MOLECULAR MODELING
    2. Ripka, AS; Satyshur, KA; Bohacek, RS; Rich, DH
      Aspartic protease inhibitors designed from computer-generated templates bind as predicted

      ORGANIC LETTERS
    3. Bursavich, MG; West, CW; Rich, DH
      From peptides to non-peptide peptidomimetics: Design and synthesis of new piperidine inhibitors of aspartic peptidases

      ORGANIC LETTERS
    4. Zhou, RH; Friesner, RA; Ghosh, A; Rizzo, RC; Jorgensen, WL; Levy, RM
      New linear interaction method for binding affinity calculations using a continuum solvent model

      JOURNAL OF PHYSICAL CHEMISTRY B
    5. Hou, TJ; Zhang, W; Xu, XJ
      Binding affinities for a series of selective inhibitors of gelatinase-A using molecular dynamics with a linear interaction energy approach

      JOURNAL OF PHYSICAL CHEMISTRY B
    6. van Rhee, AM; Stocker, J; Printzenhoff, D; Creech, C; Wagoner, PK; Spear, KL
      Retrospective analysis of an experimental high-throughput screening data set by recursive partitioning

      JOURNAL OF COMBINATORIAL CHEMISTRY
    7. Oprea, TI; Gottfries, J
      Chemography: The art of navigating in chemical space

      JOURNAL OF COMBINATORIAL CHEMISTRY
    8. Muehlenweg, B; Sperl, S; Magdolen, V; Schmitt, M; Harbeck, N
      Interference with the urokinase plasminogen activator system: a promising therapy concept for solid tumours

      EXPERT OPINION ON BIOLOGICAL THERAPY
    9. Kotha, S; Sreenivasachary, N
      Synthesis of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) derivatives by cycloaddition approaches

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    10. Budin, N; Majeux, N; Caflisch, A
      Fragment-based flexible ligand docking by evolutionary optimization

      BIOLOGICAL CHEMISTRY
    11. Grams, F; Brandstetter, H; D'Alo, S; Geppert, D; Krell, HW; Leinert, H; Livi, V; Menta, E; Oliva, A; Zimmermann, G
      Pyrimidine-2,4,6-triones: A new effective and selective class of matrix metalloproteinase inhibitors

      BIOLOGICAL CHEMISTRY
    12. Golos, B; Dzik, JM; Kazimierczuk, Z; Ciesla, J; Zielinski, Z; Jankowska, J; Kraszewski, A; Stawinski, J; Rode, W; Shugar, D
      Interaction of thymidylate synthase with the 5 '-thiophosphates, 5 '-dithiophosphates, 5 '-H-phosphonates and 5 '-S-thiosulfates of 2 '-deoxyuridine,thymidine and 5-fluoro-2 '-deoxyuridine

      BIOLOGICAL CHEMISTRY
    13. Solis, D; Jimenez-Barbero, J; Kaltner, H; Romero, A; Siebert, HC; von der Lieth, CW; Gabius, HJ
      Towards defining the role of glycans as hardware in information storage and transfer: Basic principles, experimental approaches and recent progress

      CELLS TISSUES ORGANS
    14. Lung, FDT; Lang, YQ; King, CR; Varady, J; Wu, XW; Wang, S; Roller, PP
      Functional preference of the constituent amino acid residues in a phage-library-based nonphosphorylated inhibitor of the Grb2-SH2 domain

      JOURNAL OF PEPTIDE RESEARCH
    15. Weber, WW
      The legacy of pharmacogenetics and potential applications

      MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS
    16. Abagyan, R; Totrov, M
      High-throughput docking for lead generation

      CURRENT OPINION IN CHEMICAL BIOLOGY
    17. Liu, D; Huang, Z
      Synthetic peptides and non-peptidic molecules as probes of structure and function of Bcl-2 family proteins and modulators of apoptosis

      APOPTOSIS
    18. Sawyer, T; Boyce, B; Dalgarno, D; Iuliucci, J
      Src inhibitors: genomics to therapeutics

      EXPERT OPINION ON INVESTIGATIONAL DRUGS
    19. Neamati, N
      Structure-based HIV-1 integrase inhibitor design: a future perspective

      EXPERT OPINION ON INVESTIGATIONAL DRUGS

    20. Phenylthiourea compounds for treating HIV infection - Parker Hughes Institute: WO0078721

      EXPERT OPINION ON THERAPEUTIC PATENTS
    21. Brailsford, T; Burt, C; Calder, J; Davies, M; Edge, C; Murray-Rust, P; Overington, J; Richardson, CM
      Virtual education for medicinal chemistry: Early experiences in industrial-academic partnership for continuous learning.

      INTERNET JOURNAL OF CHEMISTRY
    22. Marshall, NJ; Grail, BM; Payne, JW
      Predominant torsional forms adopted by oligopeptide conformers in solution: Parameters for molecular recognition

      JOURNAL OF PEPTIDE SCIENCE
    23. Roques, BP
      Insights into peptide and protein function: A convergent approach

      JOURNAL OF PEPTIDE SCIENCE
    24. Tondi, D; Powers, RA; Caselli, E; Negri, MC; Blazquez, J; Costi, MP; Shoichet, BK
      Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase

      CHEMISTRY & BIOLOGY
    25. Anderson, AC; O'Neil, RH; Surti, TS; Stroud, RM
      Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking

      CHEMISTRY & BIOLOGY
    26. Rotonda, J; Garcia-Calvo, M; Bull, HG; Geissler, WM; McKeever, BM; Willoughby, CA; Thornberry, NA; Becker, JW
      The three-dimensional structure of human granzyme B compared to caspase-3,key mediators of cell death with cleavage specificity for aspartic acid inP1

      CHEMISTRY & BIOLOGY
    27. Arthanari, H; Bolton, PH
      Functional and dysfunctional roles of quadruplex DNA in cells

      CHEMISTRY & BIOLOGY
    28. Fritz, TA; Tondi, D; Finer-Moore, JS; Costi, MP; Stroud, RM
      Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase

      CHEMISTRY & BIOLOGY
    29. Caselli, E; Powers, RA; Blasczcak, LC; Wu, CYE; Prati, F; Shoichet, BK
      Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases

      CHEMISTRY & BIOLOGY
    30. Ortells, MO; Barrantes, GE
      Understanding channel blocking in the nicotinic acetylcholine receptor

      RECEPTORS & CHANNELS
    31. Jing, NJ; Marchand, C; Guan, YL; Liu, J; Pallansch, L; Lackman-Smith, C; De Clercq, E; Pommier, Y
      Structure-activity of inhibition of HIV-1 integrase and virus replication by G-quartet oligonucleotides

      DNA AND CELL BIOLOGY
    32. Vidal, M; Gigoux, V; Garbay, C
      SH2 and SH3 domains as targets for anti-proliferative agents

      CRITICAL REVIEWS IN ONCOLOGY HEMATOLOGY
    33. Ferguson, AD; Kodding, J; Walker, G; Bos, C; Coulton, JW; Diederichs, K; Braun, V; Welte, W
      Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA

      STRUCTURE
    34. Lee, JE; Cornell, KA; Riscoe, MK; Howell, PL
      Structure of E-coli 5 '-methylthioadenosine/S-adenosylhomocysteine nucleosidase reveals similarity to the purine nucleoside phosphorylases

      STRUCTURE
    35. Burke, TR; Yao, ZJ; Gao, Y; Wu, JX; Zhu, XF; Luo, JH; Guo, RB; Yang, DJ
      N-terminal carboxyl and tetrazole-containing amides as adjuvants to Grb2 SH2 domain ligand binding

      BIOORGANIC & MEDICINAL CHEMISTRY
    36. Le, VD; Mak, CC; Lin, YC; Elder, JH; Wong, CH
      Structure-activity studies of FIV and HIV protease inhibitors containing allophenylnorstatine

      BIOORGANIC & MEDICINAL CHEMISTRY
    37. Morikis, D; Elcock, AH; Jennings, PA; McCammon, JA
      Native-state conformational dynamics of GART: A regulatory pH-dependent coil-helix transition examined by electrostatic calculations

      PROTEIN SCIENCE
    38. Morikis, D; Elcock, AH; Jennings, PA; McCammon, JA
      Proton transfer dynamics of GART: The pH-dependent catalytic mechanism examined by electrostatic calculations

      PROTEIN SCIENCE
    39. Jain, NU; Venot, A; Umemoto, K; Leffler, H; Prestegard, JH
      Distance mapping of protein-binding sites using spin-labeled oligosaccharide ligands

      PROTEIN SCIENCE
    40. Qiu, XY; Janson, CA; Smith, WW; Green, SM; McDevitt, P; Johanson, K; Carter, P; Hibbs, M; Lewis, C; Chalker, A; Fosberry, A; Lalonde, J; Berge, J; Brown, P; Houge-Frydrych, CSV; Jarvest, RL
      Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors

      PROTEIN SCIENCE
    41. Mak, CC; Le, VD; Lin, YC; Elder, JH; Wong, CH
      Design, synthesis, and biological evaluation of HIV/FIV protease inhibitors incorporating a conformationally constrained macrocycle with a small P3 'residue

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    42. Furet, P; Imbach, P; Furst, P; Lang, M; Noorani, M; Zimmermann, J; Garcia-Echeverria, C
      Modeling of the binding mode of a non-covalent inhibitor of the 20S proteasome. Application to structure-based analogue design

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    43. Hoppe-Seyler, F; Crnkovic-Mertens, I; Denk, C; Fitscher, BA; Klevenz, B; Tornai, E; Butz, K
      Peptide aptamers: new tools to study protein interactions

      JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY
    44. Gohlke, H; Klebe, G
      Statistical potentials and scoring functions applied to protein-ligand binding

      CURRENT OPINION IN STRUCTURAL BIOLOGY
    45. Meyer, M; Schnurre, R; Reissbrodt, R; Trowitzsch-Kienast, W
      Computer-aided design of novel siderophores: Pyridinochelin

      ZEITSCHRIFT FUR NATURFORSCHUNG C-A JOURNAL OF BIOSCIENCES
    46. Tyndall, JDA; Fairlie, DP
      Macrocycles mimic the extended peptide conformation recognized by aspartic, serine, cysteine and metallo proteases

      CURRENT MEDICINAL CHEMISTRY
    47. Chauhan, PMS; Srivastava, SK
      Present trends and future strategy in chemotherapy of malaria

      CURRENT MEDICINAL CHEMISTRY
    48. Eichmuller, C; Schuler, W; Konrat, R; Krautler, B
      Simultaneous measurement of intra- and intermolecular NOEs in differentially labeled protein-ligand complexes

      JOURNAL OF BIOMOLECULAR NMR
    49. Eichmuller, C; Tollinger, M; Krautler, B; Konrat, R
      Mapping the ligand binding site at protein side-chains in protein-ligand complexes through NOE difference spectroscopy

      JOURNAL OF BIOMOLECULAR NMR
    50. Pitman, MC; Huber, WK; Horn, H; Kramer, A; Rice, JE; Swope, WC
      FLASHFLOOD: A 3D field-based similarity search and alignment method for flexible molecules

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    51. So, SS; Karplus, M
      Evaluation of designed ligands by a multiple screening method: Applicationto glycogen phosphorylase inhibitors constructed with a variety of approaches

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    52. Duart, MJ; Garcia-Domenech, R; Anton-Fos, GM; Galvez, J
      Optimization of a mathematical topological pattern for the prediction of antihistaminic activity

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    53. Tao, P; Lai, LH
      Protein ligand docking based on empirical method for binding affinity estimation

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    54. Zhu, J; Yu, HB; Fan, H; Liu, HY; Shi, YY
      Design of new selective inhibitors of cyclooxygenase-2 by dynamic assemblyof molecular building blocks

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    55. Wang, L; Duan, Y; Stouten, P; De Lucca, GV; Klabe, RM; Kollman, PA
      Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    56. Mills, JEJ; de Esch, IJP; Perkins, TDJ; Dean, PM
      SLATE: A method for the superposition of flexible ligands

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    57. Mager, PP; Reinhardt, R; Fischer, K
      Molecular simulation to aid in the understanding of the A beta(1-42) peptide of Alzheimer's disease

      MOLECULAR SIMULATION
    58. Leach, AR; Green, DVS
      Computational chemistry in lead identification, library design and lead optimisation

      MOLECULAR SIMULATION
    59. Smutzer, G
      X-ray vision in structural genomics

      SCIENTIST
    60. Galatin, PS; Abraham, DJ
      QSAR: Hydropathic analysis of inhibitors of the p53-mdm2 interaction

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    61. Chen, YZ; Zhi, DG
      Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    62. Arora, N; Bashford, D
      Solvation energy density occlusion approximation for evaluation of desolvation penalties in biomolecular interactions

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    63. Lamb, ML; Burdick, KW; Toba, S; Young, MM; Skillman, KG; Zou, XQ; Arnold, JR; Kuntz, ID
      Design, docking, and evaluation of multiple libraries against multiple targets

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    64. Bartolucci, C; Perola, E; Pilger, C; Fels, G; Lamba, D
      Three-dimensional structure of a complex of galanthamine (Nivalin (R)) with acetylcholinesterase from Torpedo californica: Implications for the design of new anti-Alzheimer drugs

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    65. Tiaho, F; Becq, F; Hussy, N
      Venoms toxins: towards therapeutic tools

      M S-MEDECINE SCIENCES
    66. Permi, P; Annila, A
      Sequential resonance assignment from two-dimensional inter- and intra-residue N-15-H-1 correlation spectra

      MAGNETIC RESONANCE IN CHEMISTRY
    67. Peters, GH; Jensen, MO; Bywater, RP
      Dynamics of the substrate binding pocket in the presence of an inhibitor covalently attached to a fungal lipase.

      JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
    68. Kurt, N; Haliloglu, T
      Conformational dynamics of subtilisin-chymotrypsin inhibitor 2 complex by coarse-grained simulations

      JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
    69. Hou, TJ; Qiao, XB; Xu, XJ
      Research and development of 3D molecular structure database of traditionalChinese drugs

      ACTA CHIMICA SINICA
    70. Perez, MC; de Troconis, MIC
      Rational design of antibacterial compounds from 5-nitrofurane analogs using molecular modeling

      BOLETIN DE LA SOCIEDAD CHILENA DE QUIMICA
    71. Park, BK; Kitteringham, NR; O'Neill, PM
      Metabolism of fluorine-containing drugs

      ANNUAL REVIEW OF PHARMACOLOGY AND TOXICOLOGY
    72. Oakley, AJ; Ketterman, A; Wilce, MCJ
      Structural biology and its applications to the health sciences

      CROATIAN MEDICAL JOURNAL
    73. Muller, G
      Peptidomimetic SH2 domain antagonists for targeting signal transduction

      BIOORGANIC CHEMISTRY OF BIOLOGICAL SIGNAL TRANSDUCTION
    74. Koeppel, F; Riou, JF; Laoui, A; Mailliet, P; Arimondo, PB; Labit, D; Petitgenet, O; Helene, C; Mergny, JL
      Ethidium derivatives bind to G-quartets, inhibit telomerase and act as fluorescent probes for quadruplexes

      NUCLEIC ACIDS RESEARCH
    75. Szlinder-Richert, J; Mazerski, J; Cybulska, B; Grzybowska, J; Borowski, E
      MFAME, N-methyl-N-D-fructosyl amphotericin B methyl ester, a new amphotericin B derivative of low toxicity: relationship between self-association andeffects on red blood cells

      BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
    76. Hurley, LH
      Secondary DNA structures as molecular targets for cancer therapeutics

      BIOCHEMICAL SOCIETY TRANSACTIONS
    77. Wright, JD; Lim, C
      A fast method for predicting amino acid mutations that lead to unfolding

      PROTEIN ENGINEERING
    78. Rudgers, GW; Palzkill, T
      Protein minimization by random fragmentation and selection

      PROTEIN ENGINEERING
    79. Zeng, J; Nheu, T; Zorzet, A; Catimel, B; Nice, E; Maruta, H; Burgess, AW; Treutlein, HR
      Design of inhibitors of Ras-Raf interaction using a computational combinatorial algorithm

      PROTEIN ENGINEERING
    80. English, AC; Groom, CR; Hubbard, RE
      Experimental and computational mapping of the binding surface of a crystalline protein

      PROTEIN ENGINEERING
    81. Van Regenmortel, MHV
      Pitfalls of reductionism in the design of peptide-based vaccines

      VACCINE
    82. Warkentin, E; Mamat, B; Sordel-Klippert, M; Wicke, M; Thauer, RK; Iwata, M; Iwata, S; Ermler, U; Shima, S
      Structures of F420H2 : NADP(+) oxidoreductase with and without its substrates bound

      EMBO JOURNAL
    83. van den Elsen, JMH; Kuntz, DA; Rose, DR
      Structure of Golgi alpha-mannosidase II: a target for inhibition of growthand metastasis of cancer cells

      EMBO JOURNAL
    84. Huang, XQ; Jiang, HL; Luo, XM; Shen, JK; Chen, KX; Ji, RY
      A 3D-structural model of memapsin 2 protease generated from theoretical study

      ACTA PHARMACOLOGICA SINICA
    85. Izbicka, E; Barnes, LD; Robinson, AK; Davidson, KK; Lawrence, RA; Hannibal, GT
      Alterations in DNA repair and telomere maintenance mechanism affect response to porphyrins in yeast

      ANTICANCER RESEARCH
    86. Yegorov, YE
      Telomeres, telomeric DNA, chromosomes

      BIOLOGICHESKIE MEMBRANY
    87. Zuccotto, F; Zvelebil, M; Brun, R; Chowdhury, SF; Di Lucrezia, R; Leal, I; Maes, L; Ruiz-Perez, LM; Pacanowska, DG; Gilbert, IH
      Novel inhibitors of Trypanosoma cruzi dihydrofolate reductase

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    88. Campos, J; Nunez, MD; Rodriguez, V; Entrena, A; Hernandez-Alcoceba, R; Fernandez, F; Lacal, JC; Gallo, MA; Espinosa, A
      LUMO energy of model compounds of bispyridinium compounds as an index for the inhibition of choline kinase

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    89. Nofre, C
      New hypotheses for the GPCR 3D arrangement based on a molecular model of the human sweet-taste receptor

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    90. D'Alessio, S; Gallina, C; Gavuzzo, E; Giorhano, C; Gorini, B; Mazza, F; Paradisi, MP; Panini, G; Pochettic, G
      Conformationally constrained analogues of endogenous tripeptide inhibitorsof zinc metalloproteinases

      EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
    91. Thompson, TN
      Optimization of metabolic stability as a goal of modern drug design

      MEDICINAL RESEARCH REVIEWS
    92. Mager, PP
      The active site of HIV-1 protease

      MEDICINAL RESEARCH REVIEWS
    93. Wu, JA; Attele, AS; Zhang, L; Yuan, CS
      Anti-HIV activity of medicinal herbs: Usage and potential development

      AMERICAN JOURNAL OF CHINESE MEDICINE
    94. Tetaud, E; Giroud, C; Prescott, AR; Parkin, DW; Baltz, D; Biteau, N; Baltz, T; Fairlamb, AH
      Molecular characterisation of mitochondrial and cytosolic trypanothione-dependent tryparedoxin peroxidases in Trypanosoma brucei

      MOLECULAR AND BIOCHEMICAL PARASITOLOGY
    95. Lebon, F; Ledecq, M; Dieu, M; Demazy, C; Remacle, J; Lapouyade, R; Kahn, O; Durant, F
      Synthesis and structural analysis of the copper(II) complexes of N2-(2-pyridylmethyl)-2-pyridinecarboxamide

      JOURNAL OF INORGANIC BIOCHEMISTRY
    96. Davydov, L; Cheng, JWM
      Tenecteplase: A review

      CLINICAL THERAPEUTICS
    97. Murcia-Soler, M; Perez-Gimenez, F; Nalda-Molina, R; Salabort-Salvador, MT; Garcia-March, FJ; Cercos-del-Pozo, RA; Garrigues, TM
      QSAR analysis of hypoglycemic agents using the topological indices

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    98. Estrada, E; Molina, E; Perdomo-Lopez, I
      Can 3D structural parameters be predicted from 2D (topological) molecular descriptors?

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    99. Xue, L; Stahura, FL; Godden, JW; Bajorath, J
      Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
    100. Bajorath, J
      Selected concepts and investigations in compound classification, moleculardescriptor analysis, and virtual screening

      JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES


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Documento generato il 26/05/20 alle ore 12:41:28