The Journal of Computer Chemistry, Japan, Vol. 4, No. 2 (2005)

General Paper

• Three-Dimensional Protein Structural Data Mining Based on the Glycine Filter Reduced Representation

  Hiroaki KATO, Shin-ichi CHIKAMATSU, Yoshimasa TAKAHASHI and Hidetsugu ABE

• Identification of Dopamine D1 Receptor Agonists and Antagonists under Existing Noise Compounds by TFS-based ANN and SVM

  Yoshimasa TAKAHASHI, Satoshi FUJISHIMA, Katsumi NISHIKOORI, Hiroaki KATO and Takashi OKADA

• Development of a Simulation System for Membrane Modular Design

  Takurou NISHIMURA and Kimito FUNATSU

• The Study of HOMO Energy for Showing the Basicity and the n(C=O) Stretching Bands Obtained by the Semi-empirical and ab initio Methods in Phosphorus Ylides

  Shun-ichi MITOMO, Sumio TOKITA and Manabu SENO

• Development of XyMTeX2PS for the PostScript Typesetting of Chemical Documents Containing Structural Formulas

  Shinsaku FUJITA

• Development and Application of XyM2Mol System for Converting Structural Data by XyM Notation into Connection Tables

  Kei ITO, Nobuya TANAKA and Shinsaku FUJITA