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日本コンピュータ化学会 | 論文
- MOPAC Analysis on the Structure of Metal Halides
- Anomalous Behavior of Diffusion Coefficients near the Critical Point from Molecular Simulation
- Ab initio MO-MD Simulations
- Molecular dynamics simulation of unfolding of histidine-containing phosphocarrier protein in water.
- Introduction of Physicochemical Properties Termed Stickiness and Pseudostickiness to Quantification of Macromolecule-interaction and Its Application to the Analysis of Lambda Genome DNA.
- Development of a Display and Retrieval System for the Protein Data Bank on Sun Microsystems Workstation.
- Coulomb Force Feeling System based on Virtual Reality Technology
- Analysis of oxidation of p-cresol catalyzed by horseradish peroxidase compound II.
- The Role of Heme in Monooxygenation Reaction Mechanism by Cytochrome P-450
- Mechanism of phosphorylation of Ser residue catalyzed by cAMP-dependent protein kinase
- Educational Effect of the Microcomputer-Aided Lecture on the Teaching and/or Learning of Chemistry.
- Prediction of Gas Solubility in Polymers by Molecular Dynamics Simulations
- Photochromism and Structural Chemistry of Benzo(1,2,3-kl:4,5,6-k'l')dixanthene and its analogues.
- Ab initio and DFT Calculations of Tetrachlorodibenzo-p-dioxins
- Calculation of the parity-violating energy by using the generalized spin-orbitals obtained by the SCF calculation including the spin-orbit coupling interaction
- Simulations to Demonstrate Flexibility of Full Variational Molecular Orbital Method by Fictitious Change in the Electron Mass
- CyberMol-A Molecular Graphics Program System on the World Wide Web Using the Common Gateway Interface.
- The Development and Application of Non-Periodic Ab Initio Molecular Dynamics Code Employing the Real Space Grids
- MOLDA for Windows-A Molecular Modeling and Molecular Graphics Program Using a VRML Viewer on Personal Computers.
- MOLDA for Java. A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language.