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Perspectives in Drug Discovery and Design

Статьи последних нескольких выпусков журнала Perspectives in Drug Discovery and Design © Springer
  • Combination of molecular similarity measures using data fusion
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 1-16.
    by CMR Ginn, P Willett, J Bradshaw
  • Preface
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 7-11.
    by G Klebe
  • Optimization of the drug-likeness of chemical libraries
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 17-28.
    by J Sadowski
  • Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 29-42.
    by TG Davies, JRH Tame, RE Hubbard
  • Multiple molecular superpositioning as an effective tool for virtual database screening
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 43-62.
    by C Lemmen, M Zimmermann, T Lengauer
  • A recursive algorithm for efficient combinatorial library docking
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 63-81.
    by M Rarey, T Lengauer
  • Modifications of the scoring function in FlexX for virtual screening applications
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 83-98.
    by M Stahl
  • A knowledge-based scoring function for protein-ligand interactions: Probing the reference state
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 99-114.
    by I Muegge
  • Predicting binding modes, binding affinities and `hot spots' for protein-ligand complexes using a knowledge-based scoring function
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 115-144.
    by H Gohlke, M Hendlich, G Klebe
  • Hydrophobicity maps and docking of molecular fragments with solvation
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 145-169.
    by N Majeux, M Scarsi, C Tenette-Souaille, A Caflisch
  • Virtual screening with solvation and ligand-induced complementarity
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 171-190.
    by V Schnecke, LA Kuhn
  • Similarity versus docking in 3D virtual screening
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 191-207.
    by J Mestres, RMA Knegtel
  • Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 209-230.
    by TJ Marrone, BA Luty, PW Rose
  • In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 231-244.
    by H Briem, UF Lessel
  • Computer-assisted synthesis and reaction planning in combinatorial chemistry
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 245-264.
    by J Gasteiger, M Pfortner, M Sitzmann, R Hollering, O Sacher, T Kostka, N Karg
  • Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries
    Perspectives in Drug Discovery and Design, Vol. 20, No. 1. (2000), pp. 265-287.
    by VJ Gillet, O Nicolotti
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