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La ricerca find articoli where soggetti phrase all words 'DOCKING' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 1227 riferimenti
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    1. Vakser, IA; Jiang, SL
      Strategies for modeling the interactions of transmembrane helices of G protein-coupled receptors by geometric complementarity using the GRAMM computer algorithm

      G PROTEIN PATHWAYS, PT A, RECEPTORS
    2. Chazalette, C; Riviere-Baudet, M; Scozzafava, A; Abbate, F; Ben Maarouf, Z; Supuran, CT
      Carbonic anhydrase inhibitors, interaction of boron derivatives with isozymes I and II: A new binding site for hydrophobic inhibitors at the entranceof the active site as shown by docking studies

      JOURNAL OF ENZYME INHIBITION
    3. Vicentini, CB; Guarneri, M; Andrisano, V; Guccione, S; Langer, T; Marschhofer, R; Chabin, R; Edison, AM; Huang, X; Knight, WB; Giori, P
      Potential of pyrazolooxadiazinone derivatives as serine protease inhibitors

      JOURNAL OF ENZYME INHIBITION
    4. Thompson, MA; Weinshilboum, RM; El Yazal, J; Wood, TC; Pang, YC
      Rabbit indolethylamine N-methyltransferase three-dimensional structure prediction: a model approach to bridge sequence to function in pharmacogenomicstudies

      JOURNAL OF MOLECULAR MODELING
    5. Exner, TE; Brickmann, J
      The identification of complementarity of molecular surfaces using fuzzy set theory

      JOURNAL OF MOLECULAR MODELING
    6. Tonmunphean, S; Parasuk, V; Kokpol, S
      Automated calculation of docking of artemisinin to heme

      JOURNAL OF MOLECULAR MODELING
    7. Kapp, OH; Siemion, J; Kuo, J; Johnson, BA; Shankaran, V; Reba, RC; Mukherjee, J
      Comparison of the interaction of dopamine and high affinity positron emission tomography radiotracer fallypride with the dopamine D-2 receptor: a molecular modeling study

      JOURNAL OF MOLECULAR MODELING
    8. Latour, S; Gish, G; Helgason, CD; Humphries, RK; Pawson, T; Veillette, A
      Regulation of SLAM-mediated signal transduction by SAP, the X-linked lymphoproliferative gene product

      NATURE IMMUNOLOGY
    9. Kemprman, BJ; de Gelder, R; Wehrens, R; Dommerholt, FJ; Klunder, AJH; Buydens, LMC; Zwanenburg, B
      A computational model to predict clathration of molecules with cephradine

      JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
    10. Chen, YA; Scheller, RH
      Snare-mediated membrane fusion

      NATURE REVIEWS MOLECULAR CELL BIOLOGY
    11. Weide, T; Bayer, M; Koster, M; Siebrasse, JP; Peters, R; Barnekow, A
      The Golgi matrix protein GM130: a specific interacting partner of the small GTPase rab1b

      EMBO REPORTS
    12. Kulys, J; Deussen, HJ; Krikstopaitis, K; Lolck, R; Schneider, P; Ziemys, A
      N-arylhydroxamic acids as novel oxidoreductase substrates

      EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
    13. Peterson, MR; Emr, SD
      The class C Vps complex functions at multiple stages of the vacuolar transport pathway

      TRAFFIC
    14. Legakis, JE; Terlecky, SR
      PTS2 protein import into mammalian peroxisomes

      TRAFFIC
    15. Moyer, BD; Allan, BB; Balch, WE
      Rab1 interaction with a GM130 effector complex regulates COPII vesicle cis-Golgi tethering

      TRAFFIC
    16. Kim, DW; Massey, T; Sacher, M; Pypaert, M; Ferro-Novick, S
      Sgf1p, a new component of the Sec34p/Sec35p complex

      TRAFFIC
    17. Shobini, J; Mishra, AK; Sandhya, K; Chandra, N
      Interaction of coumarin derivatives with human serum albumin: investigation by fluorescence spectroscopic technique and modeling studies

      SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
    18. Langer, T; Hoffmann, RD
      Virtual screening: An effective tool for lead structure discovery?

      CURRENT PHARMACEUTICAL DESIGN
    19. Mason, JS; Good, AC; Martin, EJ
      3-D Pharmacophores in drug discovery

      CURRENT PHARMACEUTICAL DESIGN
    20. Abagyan, R; Totrov, M
      High-throughput docking for lead generation

      CURRENT OPINION IN CHEMICAL BIOLOGY
    21. Terfloth, L; Gasteiger, J
      Neural networks and genetic algorithms in drug design

      DRUG DISCOVERY TODAY
    22. Beattie, VE; Sneddon, IA; Walker, N; Weatherup, RN
      Environmental enrichment of intensive pig housing using spent mushroom compost

      ANIMAL SCIENCE
    23. Fay, MJ; Walter, NG; Burke, JM
      Imaging of single hairpin ribozymes in solution by atomic force microscopy

      RNA-A PUBLICATION OF THE RNA SOCIETY
    24. Zloh, M; Esposito, D; Gibbons, WA
      Docking of transmembrane helices into four helix bundles in the high affinity IgE receptor

      INTERNET JOURNAL OF CHEMISTRY
    25. Frame, S; Cohen, P; Biondi, RM
      A common phosphate binding site explains the unique substrate specificity of GSK3 and its inactivation by phosphorylation

      MOLECULAR CELL
    26. Sacher, M; Barrowman, J; Wang, W; Horecka, J; Zhang, YY; Pypaert, M; Ferro-Novick, S
      TRAPP I implicated in the specificity of tethering in ER-to-Golgi transport

      MOLECULAR CELL
    27. Yazal, JE; Rao, SN; Mehl, A; Slikker, W
      Prediction of organophosphorus acetylcholinesterase inhibition using three-dimensional quantitative structure-activity relationship (3D-QSAR) methods

      TOXICOLOGICAL SCIENCES
    28. Schroder-Petersen, DL; Simonsen, HB
      Tail biting in pigs

      VETERINARY JOURNAL
    29. Kent, JE; Molony, V; Graham, MJ
      The effect of different bloodless castrators and different tail docking methods on the responses of lambs to the combined Burdizzo rubber ring methodof castration

      VETERINARY JOURNAL
    30. Hunter, EJ; Jones, TA; Guise, HJ; Penny, RHC; Hoste, S
      The relationship between tail biting in pigs, docking procedure and other management practices

      VETERINARY JOURNAL
    31. Kozlowski, PM; Vogel, KM; Zgierski, MZ; Spiro, TG
      Steric contributions to CO binding in heme proteins: a density functional analysis of FeCO vibrations and deformability

      JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
    32. Sanders, LK; Arnold, WD; Oldfield, E
      NMR, IR, Mossbauer and quantum chemical investigations of metalloporphyrins and metalloproteins

      JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
    33. 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
    34. 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
    35. 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
    36. Kovalishin, VV; Tetko, IV; Luik, AI; Chretien, JR; Livingstone, DJ
      Application of neural networks using the volume learning algorithm for quantitative study of the three-dimensional structure-activity relationships of chemical compounds

      RUSSIAN JOURNAL OF BIOORGANIC CHEMISTRY
    37. Bailey-Kellogg, C; Kelley, JJ; Stein, C; Donald, BR
      Reducing mass degeneracy in SAR by MS by stable isotopic labeling

      JOURNAL OF COMPUTATIONAL BIOLOGY
    38. Ortells, MO; Barrantes, GE
      Understanding channel blocking in the nicotinic acetylcholine receptor

      RECEPTORS & CHANNELS
    39. Du, LL; Novick, P
      Yeast Rab GTPase-activating protein Gyp1p localizes to the Golgi apparatusand is a negative regulator of Ypt1p

      MOLECULAR BIOLOGY OF THE CELL
    40. Bensen, ES; Yeung, BG; Payne, GS
      Ric1p and the Ypt6p GTPase function in a common pathway required for localization of trans-Golgi network membrane proteins

      MOLECULAR BIOLOGY OF THE CELL
    41. Llorca, O; Martin-Benito, J; Gomez-Puertas, P; Ritco-Vonsovici, M; Willison, KR; Carrascosa, JL; Valpuesta, JM
      Analysis of the interaction between the eukaryotic chaperonin CCT and its substrates actin and tubulin

      JOURNAL OF STRUCTURAL BIOLOGY
    42. Wang, JM
      A corrected quaternary arrangement of the peptidase HsIV and ATPase HsIU in a cocrystal structure

      JOURNAL OF STRUCTURAL BIOLOGY
    43. Wriggers, W; Birmanns, S
      Using Situs for flexible and rigid-body fitting of multiresolution single-molecule data

      JOURNAL OF STRUCTURAL BIOLOGY
    44. Kameda, H; Risinger, JI; Han, BB; Baek, SJ; Barrett, JC; Glasglow, WC; Eling, TE
      Identification of epidermal growth factor receptor-Grb2-associated Binder-1-SHP-2 complex formation and its functional loss during neoplastic cell progression

      CELL GROWTH & DIFFERENTIATION
    45. Comoglio, PM; Boccaccio, C
      Scatter factors and invasive growth

      SEMINARS IN CANCER BIOLOGY
    46. Harada, S; Esch, GL; Holgado-Madruga, M; Wong, AJ
      Grb-2-associated binder-1 is involved in insulin-induced egr-1 gene expression through its phosphatidylinositol 3 '-kinase binding site

      DNA AND CELL BIOLOGY
    47. Schumacher, JT; Hecht, HJ; Dengler, U; Reichelt, J; Bilitewski, U
      Direct electron transfer observed for peroxidase to screen-printed graphite electrodes

      ELECTROANALYSIS
    48. Li, F; Li, W; Shen, JC
      Contribution of solvation energy in protein-peptide recognition systems

      CHINESE JOURNAL OF CHEMISTRY
    49. Schrader, L; Roth, HR; Winterling, C; Brodmann, N; Langhans, W; Geyer, H; Graf, B
      The occurrence of tail tip alterations in fattening bulls kept under different husbandry conditions

      ANIMAL WELFARE
    50. Lin, LYC; Sulea, T; Szittner, R; Vassilyev, V; Purisima, EO; Meighen, EA
      Modeling of the bacterial luciferase-flavin mononucleotide complex combining flexible docking with structure-activity data

      PROTEIN SCIENCE
    51. Tovchigrechko, A; Vakser, IA
      How common is the funnel-like energy landscape in protein-protein interactions?

      PROTEIN SCIENCE
    52. Norel, R; Sheinerman, F; Petrey, D; Honig, B
      Electrostatic contributions to protein-protein interactions: Fast energetic filters for docking and their physical basis

      PROTEIN SCIENCE
    53. Morelli, XJ; Palma, PN; Guerlesquin, F; Rigby, AC
      A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data

      PROTEIN SCIENCE
    54. Saxton, TM; Cheng, AM; Ong, SH; Lu, Y; Sakai, R; Cross, JC; Pawson, T
      Gene dosage-dependent functions for phosphotyrosine-Grb2 signaling during mammalian tissue morphogenesis

      CURRENT BIOLOGY
    55. Kunau, WH
      Peroxisomes: The extended shuttle to the peroxisome matrix

      CURRENT BIOLOGY
    56. Logean, A; Sette, A; Rognan, D
      Customized versus universal scoring functions: Application to class I MHC-peptide binding free energy predictions

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    57. Price, MLP; Jorgensen, WL
      Rationale for the observed COX-2/COX-1 selectivity of celecoxib from MonteCarlo simulations

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    58. Wright, SW; Hageman, DL; McClure, LD; Carlo, AA; Treadway, JL; Mathiowetz, AM; Withka, JM; Bauer, PH
      Allosteric inhibition of fructose-1,6-bisphosphatase by anilinoquinazolines

      BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
    59. Sanyal, S; Krishnan, KS
      Lethal comatose mutation in Drosophila reveals possible role for NSF in neurogenesis

      NEUROREPORT
    60. Wu, TZ; Lo, YR; Chan, EC
      Exploring the recognized bio-mimicry materials for gas sensing

      BIOSENSORS & BIOELECTRONICS
    61. Segev, N
      Ypt and Rab GTPases: insight into functions through novel interactions

      CURRENT OPINION IN CELL BIOLOGY
    62. Kamada, N; Iijima, H; Kimura, K; Harada, M; Shimizu, E; Motohashi, S; Kawano, T; Shinkai, H; Nakayama, T; Sakai, T; Brossay, L; Kronenberg, M; Taniguchi, M
      Crucial amino acid residues of mouse CD1d for glycolipid ligand presentation to V(alpha)14NKT cells

      INTERNATIONAL IMMUNOLOGY
    63. Yuriev, E; Ramsland, PA; Edmundson, AB
      Docking of combinatorial peptide libraries into a broadly cross-reactive human IgM

      JOURNAL OF MOLECULAR RECOGNITION
    64. Barone, MV; Sepe, L; Melillo, RM; Mineo, A; Santelli, G; Monaco, C; Castellone, MD; Tramontano, D; Fusco, A; Santoro, M
      RET/PTC1 oncogene signaling in PCCl 3 thyroid cells requires the small GTP-binding protein Rho

      ONCOGENE
    65. Schuringa, JJ; Wojtachnio, K; Hagens, W; Vellenga, E; Buys, CHCM; Hofstra, R; Kruijer, W
      MEN2A-RET-induced cellular transformation by activation of STAT3

      ONCOGENE
    66. Mercalli, E; Ghizzoni, S; Arighi, E; Alberti, L; Sangregorio, R; Radice, MT; Gishizky, ML; Pierotti, MA; Borrello, MG
      Key role of Shc signaling in the transforming pathway triggered by Ret/ptc2 oncoprotein

      ONCOGENE
    67. Gual, P; Giordano, S; Anguissola, S; Parker, PJ; Comoglio, PM
      Gab1 phosphorylation: a novel mechanism for negative regulation of HGF receptor signaling

      ONCOGENE
    68. Melillo, RM; Carlomagno, F; De Vita, G; Formisano, P; Vecchio, G; Fusco, A; Billaud, M; Santoro, M
      The insulin receptor substrate (IRS)-1 recruits phosphatidylinositol 3-kinase to Ret: evidence for a competition between Shc and IRS-1 for the binding to Ret

      ONCOGENE
    69. Musiani, F; Arnofi, E; Casadio, R; Ciurli, S
      Structure-based computational study of the catalytic and inhibition mechanisms of urease

      JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
    70. Matias, PM; Soares, CM; Saraiva, LM; Coelho, R; Morais, J; Le Gall, J; Carrondo, MA
      [NiFe] hydrogenase from Desulfovibrio desulfuricans ATCC 27774: gene sequencing, three-dimensional structure determination and refinement at 1.8 angstrom and modelling studies of its interaction with the tetrahaem cytochromec(3)

      JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
    71. Dimoglo, AS; Shvets, NM; Tetko, IV; Livingstone, DJ
      Electronic-topologic investigation of the structure-acetylcholinesterase inhibitor activity relationship in the series of N-benzylpiperidine derivatives

      QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS
    72. Marelius, J; Ljungberg, KB; Aqvist, J
      Sensitivity of an empirical affinity scoring function to changes in receptor-ligand complex conformations

      EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
    73. Kohlbacher, O; Burchardt, A; Moll, A; Hildebrandt, A; Bayer, P; Lenhof, HP
      Structure prediction of protein complexes by an NMR-based protein docking algorithm

      JOURNAL OF BIOMOLECULAR NMR
    74. Keseru, GM
      A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    75. Rarey, M; Stahl, M
      Similarity searching in large combinatorial chemistry spaces

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    76. Makino, S; Kayahara, T; Tashiro, K; Takahashi, M; Tsuji, T; Shoji, M
      Discovery of a novel serine protease inhibitor utilizing a structure-basedand experimental selection of fragments technique

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    77. Zeng, J; Treutlein, HR; Rudy, GB
      Predicting sequences and structures of MHC-binding peptides: a computational combinatorial approach

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    78. Sippl, W; Contreras, JM; Parrot, I; Rival, YM; Wermuth, CG
      Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    79. Ewing, TJA; Makino, S; Skillman, AG; Kuntz, ID
      DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

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

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    81. Bertelli, M; El-Bastawissy, E; Knaggs, MH; Barrett, MP; Hanau, S; Gilbert, IH
      Selective inhibition of 6-phosphogluconate dehydrogenase from Trypanosoma brucei

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    82. Rognan, D; Mukhija, S; Folkers, G; Zerbe, O
      NMR-restrained docking of a peptidic inhibitor to the N-terminal domain ofthe phosphoenolpyruvate : sugar phosphotransferase enzyme I

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    83. Bernardi, A; Galgano, M; Belvisi, L; Colombo, G
      Simulation of carbohydrate-protein interactions: Computer-aided design of a second generation GM1 mimic

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    84. David, L; Luo, R; Gilson, MK
      Ligand-receptor docking with the Mining Minima optimizer

      JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
    85. Czjzek, M; Arnoux, P; Haser, R; Shepard, W
      Structure of cytochrome c(7) from Desulfuromonas acetoxidans at 1.9 angstrom resolution

      ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
    86. Oldfield, TJ
      X-LIGAND: an application for the automated addition of flexible ligands into electron density

      ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
    87. Desiraju, GR; Sarma, JARP; Raveendra, D; Gopalakrishnan, B; Thilagavathi, R; Sobhia, ME; Subramanya, HS
      Computer-aided design of selective COX-2 inhibitors: comparative molecularfield analysis and docking studies of some 3,4-diaryloxazolone derivatives

      JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
    88. Leach, AR; Green, DVS
      Computational chemistry in lead identification, library design and lead optimisation

      MOLECULAR SIMULATION
    89. Escargueil, AE; Plisov, SY; Skladanowski, A; Borgne, A; Meijer, L; Gorbsky, GJ; Larsen, AK
      Recruitment of cdc2 kinase by DNA topoisomerase II is coupled to chromatinremodeling

      FASEB JOURNAL
    90. Kamei, H; Shimazaki, K; Nishi, Y
      Computational 3-D modeling and site-directed mutation of an antibody that binds Neu2en5Ac, a transition state analogue of a sialic acid

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    91. Verkhivker, GM; Bouzida, D; Gehlhaar, DK; Rejto, PA; Schaffer, L; Arthurs, S; Colson, AB; Freer, ST; Larson, V; Luty, BA; Marrone, T; Rose, PW
      Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: Structural analysis of the peptide complexes with SH2 domains

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    92. Madhusudhan, MS; Sanjeev, BS; Vishveshwara, S
      Computer modeling and molecular dynamics simulations of ligand bound complexes of bovine angiogenin: Dinucleotide topology at the active site of RNase a family proteins

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    93. Rotkiewicz, P; Sicinska, W; Kolinski, A; DeLuca, HF
      Model of three-dimensional structure of vitamin D receptor and its bindingmechanism with 1 alpha,25-dihydroxyvitamin D-3

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    94. Xu, D; Baburaj, K; Peterson, CB; Xu, Y
      Model for the three-dimensional structure of vitronectin: Predictions for the multi-domain protein from threading and docking

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    95. Zhou, HX; Shan, YB
      Prediction of protein interaction sites from sequence profile and residue neighbor list

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    96. Gruber, K
      Elucidation of the mode of substrate binding to hydroxynitrile lyase from Hevea brasiliensis

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    97. Miller, M; Ginalski, K; Lesyng, B; Nakaigawa, N; Schmidt, L; Zbar, B
      Structural basis of oncogenic activation caused by point mutations in the kinase domain of the MET proto-oncogene: Modeling studies

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    98. Gardiner, EJ; Willett, P; Artymiuk, PJ
      Protein docking using a genetic algorithm

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    99. Glaser, F; Steinberg, DM; Vakser, IA; Ben-Tal, N
      Residue frequencies and pairing preferences at protein-protein interfaces

      PROTEINS-STRUCTURE FUNCTION AND GENETICS
    100. Diller, DJ; Merz, KM
      High throughput docking for library design and library prioritization

      PROTEINS-STRUCTURE FUNCTION AND GENETICS


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 08/08/20 alle ore 14:32:55