• case-insensitive prefix search: default
  e.g., sig matches "SIGIR" as well as "signal"
• exact word search: append dollar sign ($) to word
  e.g., graph$ matches "graph", but not "graphics"
• boolean and: separate words by space
  e.g., codd model
• boolean or: connect words by pipe symbol (|)
  e.g., graph|network

Update May 7, 2017: Please note that we had to disable the phrase search operator (.) and the boolean not operator (-) due to technical problems. For the time being, phrase search queries will yield regular prefix search result, and search terms preceded by a minus will be interpreted as regular (positive) search terms.

found 68 matches

• 2002
• 
  Lovisa Afzelius, Collen M. Masimirembwa, Anders Karlén, Tommy B. Andersson, Ismael Zamora:
  Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors. J. Comput. Aided Mol. Des. 16(7): 443-458 (2002)
• 
  Dimitris K. Agrafiotis:
  Multiobjective optimization of combinatorial libraries. J. Comput. Aided Mol. Des. 16(5-6): 335-356 (2002)
• 
  Massimiliano Aschi, Danilo Roccatano, Alfredo Di Nola, Carlo Gallina, Enrico Gavuzzo, Giorgio Pochetti, Michael Pieper, Harald Tschesche, Fernando Mazza:
  Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S3 and S'3 subsites in the interaction with a phosphonate inhibitor. J. Comput. Aided Mol. Des. 16(3): 213-225 (2002)
• 
  Jonathan B. Baell, Andrew J. Harvey, Raymond S. Norton:
  Design and synthesis of type-III mimetics of ShK toxin. J. Comput. Aided Mol. Des. 16(4): 245-262 (2002)
• 
  Jürgen Bajorath:
  Chemoinformatics methods for systematic comparison of molecules from natural and synthetic sources and design of hybrid libraries. J. Comput. Aided Mol. Des. 16(5-6): 431-439 (2002)
• 
  Richard D. Beger, Dan A. Buzatu, Jon G. Wilkes:
  Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhR. J. Comput. Aided Mol. Des. 16(10): 727-740 (2002)
• 
  Louise Birch, Christopher W. Murray, Michael J. Hartshorn, Ian J. Tickle, Marcel L. Verdonk:
  Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase. J. Comput. Aided Mol. Des. 16(12): 855-869 (2002)
• 
  Scott Boyer, Ismael Zamora:
  New methods in predictive metabolism. J. Comput. Aided Mol. Des. 16(5-6): 403-413 (2002)
• 
  Mary P. Bradley:
  An overview of the diversity represented in commercially-available databases. J. Comput. Aided Mol. Des. 16(5-6): 301-309 (2002)
• 
  Oleksandr V. Buzko, Anthony C. Bishop, Kevan M. Shokat:
  Modified AutoDock for accurate docking of protein kinase inhibitors. J. Comput. Aided Mol. Des. 16(2): 113-127 (2002)
• 
  Antonio Carrieri, Andrea Carotti, M. Letizia Barreca, Cosimo Altomare:
  Binding models of reversible inhibitors to type-B monoamine oxidase. J. Comput. Aided Mol. Des. 16(11): 769-778 (2002)
• 
  James J. Chambers, David E. Nichols:
  A homology-based model of the human 5-HT2A receptor derived from an in silico activated G-protein coupled receptor. J. Comput. Aided Mol. Des. 16(7): 511-520 (2002)
• 
  Paul S. Charifson, W. Patrick Walters:
  Filtering databases and chemical libraries. J. Comput. Aided Mol. Des. 16(5-6): 311-323 (2002)
• 
  Pak-Lee Chau, Peter William Arthur Howe:
  Analysis methods for identifying coordinated movements during ligand unbinding. J. Comput. Aided Mol. Des. 16(10): 755-765 (2002)
• 
  Brian W. Clare:
  QSAR of benzene derivatives: comparison of classical descriptors, quantum theoretic parameters and flip regression, exemplified by phenylalkylamine hallucinogens. J. Comput. Aided Mol. Des. 16(8-9): 611-633 (2002)
• 
  Gabriele Costantino, Antonio Macchiarulo, Maxim Belenikin, Roberto Pellicciari:
  Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding. J. Comput. Aided Mol. Des. 16(11): 779-784 (2002)
• 
  Laurent David, Patricia Amara, Martin J. Field, François Major:
  Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II). J. Comput. Aided Mol. Des. 16(8-9): 635-651 (2002)
• 
  David J. Diller, Kenneth M. Merz Jr.:
  Can we separate active from inactive conformations? J. Comput. Aided Mol. Des. 16(2): 105-112 (2002)
• 
  Irini A. Doytchinova, Darren R. Flower:
  A Comparative Molecular Similarity Index Analysis (CoMSIA) study identifies an HLA-A2 binding supermotif. J. Comput. Aided Mol. Des. 16(8-9): 535-544 (2002)
• 
  Sean Ekins, Bruno Boulanger, Peter W. Swaan, Maggie A. Z. Hupcey:
  Towards a new age of virtual ADME/TOX and multidimensional drug discovery. J. Comput. Aided Mol. Des. 16(5-6): 381-401 (2002)
• 
  Lennart Eriksson, Erik Johansson, Fredrik Lindgren, Michael Sjöström, Svante Wold:
  Megavariate analysis of hierarchical QSAR data. J. Comput. Aided Mol. Des. 16(10): 711-726 (2002)
• 
  Anderson Coser Gaudio, Carlos Alberto Montanari:
  HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structures. J. Comput. Aided Mol. Des. 16(4): 287-295 (2002)
• 
  Valerie J. Gillet:
  Reactant- and product-based approaches to the design of combinatorial libraries. J. Comput. Aided Mol. Des. 16(5-6): 371-380 (2002)
• 
  Alexander Golbraikh, Alexander Tropsha:
  Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. J. Comput. Aided Mol. Des. 16(5-6): 357-369 (2002)
• 
  Mariano Grasselli, Osvaldo Cascone, F. Birger Anspach, José María Delfino:
  On the molecular interaction between lactoferrin and the dye Red HE-3B. A novel approach for docking a charged and highly flexible molecule to protein surfaces. J. Comput. Aided Mol. Des. 16(12): 917-934 (2002)
• 
  Michael J. Hartshorn:
  AstexViewerTM: a visualisation aid for structure-based drug design. J. Comput. Aided Mol. Des. 16(12): 871-881 (2002)
• 
  Sally A. Hindle, Matthias Rarey, Christian Buning, Thomas Lengauer:
  Flexible docking under pharmacophore type constraints. J. Comput. Aided Mol. Des. 16(2): 129-149 (2002)
• 
  Douglas A. Horton, Gregory T. Bourne, Mark L. Smythe:
  Exploring privileged structures: the combinatorial synthesis of cyclic peptides. J. Comput. Aided Mol. Des. 16(5-6): 415-431 (2002)
• 
  Tingjun Hou, Wei Zhang, Xiaojie Xu:
  Molecular docking studies of a group of hydroxamate inhibitors with gelatinase-A by molecular dynamics. J. Comput. Aided Mol. Des. 16(1): 27-41 (2002)
• 
  Richard M. Jackson:
  Q-fit: A probabilistic method for docking molecular fragments by sampling low energy conformational space. J. Comput. Aided Mol. Des. 16(1): 43-57 (2002)

skipping 38 more matches