• 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 63 matches

• 2003
• 
  Haregewein Assefa, Shantaram Kamath, John K. Buolamwini:
  3D-QSAR and docking studies on 4-anilinoquinazoline and 4-anilinoquinoline epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors. J. Comput. Aided Mol. Des. 17(8): 475-493 (2003)
• 
  Michal J. Boniecki, Piotr Rotkiewicz, Jeffrey Skolnick, Andrzej Kolinski:
  Protein fragment reconstruction using various modeling techniques. J. Comput. Aided Mol. Des. 17(11): 725-738 (2003)
• 
  Curt M. Breneman, C. Matthew Sundling, Nagamani Sukumar, Lingling Shen, William P. Katt, Mark J. Embrechts:
  New developments in PEST shape/property hybrid descriptors. J. Comput. Aided Mol. Des. 17(2-4): 231-240 (2003)
• 
  Britta M. Bröer, Marion Gurrath, Hans-Dieter Höltje:
  Molecular modelling studies on the ORL1-receptor and ORL1-agonists. J. Comput. Aided Mol. Des. 17(11): 739-754 (2003)
• 
  Badry D. Bursulaya, Maxim Totrov, Ruben Abagyan, Charles L. Brooks III:
  Comparative study of several algorithms for flexible ligand docking. J. Comput. Aided Mol. Des. 17(11): 755-763 (2003)
• 
  Walter Cedeño, Dimitris K. Agrafiotis:
  Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression. J. Comput. Aided Mol. Des. 17(2-4): 255-263 (2003)
• 
  Marvin Charton, Barbara Charton:
  The nature of topological parameters. II. The composition of topological parameters. J. Comput. Aided Mol. Des. 17(2-4): 211-221 (2003)
• 
  Ailan Cheng, Steven L. Dixon:
  In silico models for the prediction of dose-dependent human hepatotoxicity. J. Comput. Aided Mol. Des. 17(12): 811-823 (2003)
• 
  Robert D. Clark:
  Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics. J. Comput. Aided Mol. Des. 17(2-4): 265-275 (2003)
• 
  John C. Dearden:
  In silico prediction of drug toxicity. J. Comput. Aided Mol. Des. 17(2-4): 119-127 (2003)
• 
  Mattia Falconi, Gioia Altobelli, Maria Cristina Iovino, Vincenzo Politi, Alessandro Desideri:
  Molecular dynamics simulation of Matrix Metalloproteinase 2: fluctuations and time evolution of recognition pockets. J. Comput. Aided Mol. Des. 17(12): 837-848 (2003)
• 
  Uli Fechner, Lutz Franke, Steffen Renner, Petra Schneider, Gisbert Schneider:
  Comparison of correlation vector methods for ligand-based similarity searching. J. Comput. Aided Mol. Des. 17(10): 687-698 (2003)
• 
  Pedro Alexandrino Fernandes, Alexandra T. P. Carvalho, A. T. Marques, A. L. F. Pereira, A. P. S. Madeira, Ana Sofia P. Ribeiro, A. F. R. Carvalho, E. T. A. Ricardo, F. J. V. Pinto, Hélder A. Santos, H. D. G. Mangericão, H. M. Martins, H. D. B. Pinto, Hugo R. R. Santos, Irina S. Moreira, M. J. V. Azeredo, R. P. S. Abreu, R. M. S. Oliveira, Sergio F. Sousa, R. J. A. M. Silva, Z. S. Mourão, Maria João Ramos:
  New designs for MRI contrast agents. J. Comput. Aided Mol. Des. 17(7): 463-473 (2003)
• 
  Fabrizio Giordanetto, Paola Fossa, Giulia Menozzi, Luisa Mosti:
  In silico rationalization of the structural and physicochemical requirements for photobiological activity in angelicine derivatives and their heteroanalogues. J. Comput. Aided Mol. Des. 17(1): 53-64 (2003)
• 
  Fabrizio Giordanetto, Paola Fossa, Giulia Menozzi, Silvia Schenone, Francesco Bondavalli, Angelo Ranise, Luisa Mosti:
  Exploring the molecular basis of selectivity in A₁ adenosine receptors agonists: a case study. J. Comput. Aided Mol. Des. 17(1): 39-51 (2003)
• 
  Alexander Golbraikh, Min Shen, Zhiyan Xiao, Yun-De Xiao, Kuo-Hsiung Lee, Alexander Tropsha:
  Rational selection of training and test sets for the development of validated QSAR models. J. Comput. Aided Mol. Des. 17(2-4): 241-253 (2003)
• 
  Maykel Pérez González, Aliuska Morales Helguera:
  TOPS-MODE versus DRAGON descriptors to predict permeability coefficients through low-density polyethylene. J. Comput. Aided Mol. Des. 17(10): 665-672 (2003)
• 
  Philip J. Hajduk, Renaldo Mendoza, Andrew M. Petros, Jeffrey R. Huth, Mark G. Bures, Stephen W. Fesik, Yvonne C. Martin:
  Ligand binding to domain-3 of human serum albumin: a chemometric analysis. J. Comput. Aided Mol. Des. 17(2-4): 93-102 (2003)
• 
  L. Mark Hall, Lowell H. Hall, Lemont B. Kier:
  QSAR modeling of beta-lactam binding to human serum proteins. J. Comput. Aided Mol. Des. 17(2-4): 103-118 (2003)
• 
  Anne-Marie Harrison, Darren R. South, Peter Willett, Peter J. Artymiuk:
  Representation, searching and discovery of patterns of bases in complex RNA structures. J. Comput. Aided Mol. Des. 17(8): 537-549 (2003)
• 
  Andrew J. Holder, David M. Yourtee, Derek A. White, Alan G. Glaros, Robert Smith:
  Chain melting temperature estimation for phosphatidyl cholines by quantum mechanically derived quantitative structure property relationships. J. Comput. Aided Mol. Des. 17(2-4): 223-230 (2003)
• 
  Robert E. Hormann, Laurence Dinan, Pensri Whiting:
  Superimposition evaluation of ecdysteroid agonist chemotypes through multidimensional QSAR. J. Comput. Aided Mol. Des. 17(2-4): 135-153 (2003)
• 
  Michael C. Hutter:
  Prediction of blood-brain barrier permeation using quantum chemically derived information. J. Comput. Aided Mol. Des. 17(7): 415-443 (2003)
• 
  Adam Jarmula, Piotr Cieplak, Andrzej Les, Wojciech Rode:
  Relative free energies of binding to thymidylate synthase of 2- and/or 4-thio and/or 5-fluoro analogues of dUMP. J. Comput. Aided Mol. Des. 17(10): 699-710 (2003)
• 
  Berith F. Jensen, Morten Dahl Sørensen, Anne-Marie Kissmeyer, Fredrik Björkling, Kim Sonne, Søren Balling Engelsen, Lars Nørgaard:
  Prediction of in vitro metabolic stability of calcitriol analogs by QSAR. J. Comput. Aided Mol. Des. 17(12): 849-859 (2003)
• 
  Anne Techau Jørgensen, Morten Dahl Sørensen, Fredrik Björkling, Tommy Liljefors:
  Binding of Alpha-hydroxy-beta-amino acid inhibitors to methionine aminopeptidase. The performance of two types of scoring functions. J. Comput. Aided Mol. Des. 17(5-6): 383-397 (2003)
• 
  Shun-ichi Kawahara, Tadafumi Uchimaru, Kazunari Taira:
  2-Pyridone and 3-oxo-1, 2, 6-thiadiazine-1, 1-dioxide derivatives: a new class of hydrogen bond equivalents of uracil. J. Comput. Aided Mol. Des. 17(5-6): 329-334 (2003)
• 
  Matthew D. Kelly, Ricardo L. Mancera:
  A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein. J. Comput. Aided Mol. Des. 17(7): 401-414 (2003)
• 
  Gilles Klopman, Hao Zhu, Gerhard F. Ecker, Peter Chiba:
  MCASE study of the multidrug resistance reversal activity of propafenone analogs. J. Comput. Aided Mol. Des. 17(5-6): 291-297 (2003)
• 
  Jan Kmunícek, Michal Bohác, Santos Luengo, Federico Gago, Rebecca C. Wade, Jirí Damborský:
  Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations. J. Comput. Aided Mol. Des. 17(5-6): 299-311 (2003)

skipping 33 more matches