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Journals in DBLP

Journal of Computational Chemistry
2005, volume: 26, number: 3

  1. K. Fiaty, C. Charcosset, B. Perrin, R. Couturier, B. Maïsterrena
    Simulations of the active transport of a neutral solute based on a kinase-channel-phosphatase topology. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:201-213 [Journal]
  2. Robert J. Gdanitz, Gary D. Black, Carina Lansing, Bruce J. Palmer, Karen Schuchardt
    Registering the Amica electronic structure code in the Extensible Computational Chemistry Environment. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:214-225 [Journal]
  3. Yuhui Qu, Xiufang Bian
    Electronic structure and stability of AlnPn (n = 2-4) clusters. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:226-234 [Journal]
  4. Joanna Makowska, Mariusz Makowski, Adam Liwo, Lech Chmurzynski
    Theoretical calculations of homoconjugation equilibrium constants in systems modeling acid-base interactions in side chains of biomolecules using the potential of mean force. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:235-242 [Journal]
  5. Charles F. F. Karney, Jason E. Ferrara, Stephan Brunner
    Method for computing protein binding affinity. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:243-251 [Journal]
  6. Matthew A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher J. Fennell, J. Daniel Gezelter
    OOPSE: An object-oriented parallel simulation engine for molecular dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:252-271 [Journal]
  7. Minoru Saito, Isao Okazaki, Masayuki Oda, Ikuo Fujii
    A free energy calculation study of the effect of HF substitution on binding affinity in ligand-antibody interactions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:272-282 [Journal]
  8. F. Wennmohs, M. Schindler
    Development of a multipoint model for sulfur in proteins: A new parametrization scheme to reproduce high-level ab initio interaction energies. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:283-293 [Journal]
  9. Josef Seda, Jaroslav V. Burda, Jerzy Leszczynski
    Study of electronic spectra of free-base porphin and Mg-porphin: Comprehensive comparison of variety of ab initio, DFT, and semiempirical methods. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:294-303 [Journal]
  10. Panagiotis G. Karamertzanis, Constantinos C. Pantelides
    Ab initio crystal structure prediction - I. Rigid molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:3, pp:304-324 [Journal]
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