The Journal of Computer Chemistry, Japan, Vol. 6, No. 5 (2007)

General Papers

• Development of an Implicit Membrane Model for Brownian Dynamics Simulation

  Wankee KIM, Takahiro ITO, Ichiro YAMATO and Tadashi ANDO

• Development of Neural Network for Incomplete Data Set, CQSAR:
  Compensation Quantitative Structure-Activity Relationships

  Tomoo AOYAMA, Junko KAMBE, Umpei NAGASHIMA and Hidenori UMENO

• Conformation Analysis of Enkephalin Using Hamiltonian Algorithm
  - Effect of Mixing Coefficient in HA -

  Kyouhei TSUCHIYA, Hiroyuki TERAMAE, Toshio WATANABE, Takayoshi ISHIMOTO and Umpei NAGASHIMA

• MO Analysis of Origin in Some Selective Photocycloadditions of 2-Pyridones

  Daisuke TOKUNAGA, Tetsuro SHIMO, Hiromitsu HASHIMOTO, Tomoko OOTO and Kenichi SOMEKAWA

Note

• Effective Time Difference for Biological MD Simulation
  - Glycine, Alanine, Valine, Leucine and Isoleucine Trimer -

  Rei SATO, Hiroyuki TERAMAE, Takayoshi ISHIMOTO and Umpei NAGASHIMA