• 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 89 matches

• 2014
• 
  Mazen Ahmad, Olga V. Kalinina, Thomas Lengauer:
  Entropy gain due to water release upon ligand binding. J. Cheminformatics 6(S-1): 35 (2014)
• 
  Jamil Al-Asri, Gerhard Wolber:
  Discovery of novel α-amylase inhibitors using structure-based drug design. J. Cheminformatics 6(S-1): 50 (2014)
• 
  Jirí Barilla, M. Lokajícek, H. Pisaková, Pavel Simr:
  Simulation of the influence of oxygen on the chemical stage of radiobiological mechanism using Petri nets. J. Cheminformatics 6(S-1): 12 (2014)
• 
  José Batista, Paul C. D. Hawkins, Robert Tolbert, Matthew T. Geballe:
  SiteHopper - a unique tool for binding site comparison. J. Cheminformatics 6(S-1): 57 (2014)
• 
  Tetyana Beltramo, Susanne Theuerl, Michael Klocke, Bernd Hitzmann:
  Estimation of the biogas production rate, a chemometrical approach. J. Cheminformatics 6(S-1): 26 (2014)
• 
  Marcel Bermudez, Gerhard Wolber:
  Dualsteric modulators of the M2 muscarinic acetylcholine receptor. J. Cheminformatics 6(S-1): 40 (2014)
• 
  Frank M. Boeckler, Matthias R. Bauer, Tamer M. Ibrahim, Simon M. Vogel:
  Use of DEKOIS 2.0 to gain insights for virtual screening. J. Cheminformatics 6(S-1): 24 (2014)
• 
  Tomás Bouchal, Radka Svobodová Vareková, Tomás Racek, Crina-Maria Ionescu, Stanislav Geidl, Ales Krenek, Jaroslav Koca:
  Empirical charges for chemoinformatics applications. J. Cheminformatics 6(S-1): 60 (2014)
• 
  Tim ten Brink, Clementine Aguirre, Isabelle Krimm:
  Fragment docking supported by NMR shift perturbations. J. Cheminformatics 6(S-1): 18 (2014)
• 
  Daniel Cappel, Vassilios Myrianthopoulos, Emmanuel Mikros, Woody Sherman:
  Impact of binding site waters on inhibitor design: contemplating a novel inverse binding mode of indirubin derivatives in DYRK kinases. J. Cheminformatics 6(S-1): 6 (2014)
• 
  Hafida Chemouri, Sidi Mekelleche:
  Theoretical illustration of the effect of 1-ethyl-pyridinium trifluoroacetate ionic liquid in the enhancement of the Diels-Alder reaction of isoprene with acrylic acid. J. Cheminformatics 6(S-1): 58 (2014)
• 
  Florent Chevillard, Peter Kolb:
  De novo design of selective compounds: a fragment-based pipeline applied to the β2 adrenergic receptor. J. Cheminformatics 6(S-1): 25 (2014)
• 
  Nitin Chitranshi, Pushpendra K. Tripathi, Prahlad K. Seth:
  Interaction studies of Alzheimer's Cathepsin B protein with inhibitors in presence and absence of water. J. Cheminformatics 6(S-1): 23 (2014)
• 
  Alex Clark:
  Putting together the pieces: building a reaction-centric electronic lab notebook for mobile devices. J. Cheminformatics 6(S-1): 1 (2014)
• 
  Tim Clark:
  Simulating "soft" electronics. J. Cheminformatics 6(S-1): 19 (2014)
• 
  Fredrick Robin Devadoss, Victor Paul Raj:
  Analysis and visual summarization of molecular dynamics simulation. J. Cheminformatics 6(S-1): 16 (2014)
• 
  Péter Englert, Péter Kovács:
  Making the most of approximate maximum common substructure search. J. Cheminformatics 6(S-1): 29 (2014)
• 
  Peter Ertl:
  Visualization of chemical space for medicinal chemists. J. Cheminformatics 6(S-1): 4 (2014)
• 
  Thomas E. Exner, Andrea Frank, Heiko M. Möller, Martin Dracínský:
  Can quantum-chemical NMR chemical shifts be used as criterion for force-field development. J. Cheminformatics 6(S-1): 2 (2014)
• 
  Uli Fechner:
  9th German Conference on Chemoinformatics. J. Cheminformatics 6(S-1): 1 (2014)
• 
  Denis Fourches, Alexander Tropsha:
  Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. J. Cheminformatics 6(S-1): 14 (2014)
• 
  Norbert Furtmann, Jürgen Bajorath:
  Evaluation of molecular model-based discovery of ecto-5'-nucleotidase inhibitors on the basis of X-ray structures. J. Cheminformatics 6(S-1): 13 (2014)
• 
  Stanislav Geidl, Crina-Maria Ionescu, Radka Svobodová Vareková, Jaroslav Koca:
  QM quality atomic charges for proteins. J. Cheminformatics 6(S-1): 61 (2014)
• 
  Jakub Gunera, Peter Kolb:
  Exploring and cataloguing the substrate space of prenyltransferases: automatic generation of SMARTS. J. Cheminformatics 6(S-1): 22 (2014)
• 
  Robert Günther, Rares Moldovan, Corinna Lueg, Winnie Deuther-Conrad, Bernhard Wünsch, Peter Brust:
  Development of cannabinoid receptor (CB 2 R) ligands for application in PET studies - where to attach the radiolabel? J. Cheminformatics 6(S-1): 9 (2014)
• 
  Stephen R. Heller:
  InChI - the worldwide chemical structure standard. J. Cheminformatics 6(S-1): 4 (2014)
• 
  Christian Herhaus:
  Introducing fuzziness into maximum common substructures for meaningful cluster characterisation. J. Cheminformatics 6(S-1): 17 (2014)
• 
  Anselm H. C. Horn, Danyil Huraskin, Heinrich Sticht:
  Is there a sodium effect in fibrillar amyloid-β oligomers? J. Cheminformatics 6(S-1): 56 (2014)
• 
  Tamer M. Ibrahim, Matthias R. Bauer, Frank M. Boeckler:
  Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets. J. Cheminformatics 6(S-1): 19 (2014)
• 
  Wolf-Dietrich Ihlenfeldt:
  Ushering the Cactvs Toolkit into the Python Age (without breaking the legacy). J. Cheminformatics 6(S-1): 34 (2014)

skipping 59 more matches