An interactive version of the J-PARC computer-based training system is now available at http://cindy.jparc.org The system is open to anyone with a J-PARC login. We welcome and encourage use of the training system by non-J-PARC community members.
Coloring Graphical Models . A system for the visualization and analysis of Gauss Graphical Models (GGMs) is presented. GGMs are a graphical representation of the dependencies between random variables that often occur in biological functional genomics experiments, in which individual genes have been assigned numerical random variables and a correlation coefficient has been calculated from the dependencies between the random variables. The system is based on the BOOKS3D Java package ( netbeans / ccl ), and can be explored interactively.
The SC_tools suite contains a comprehensive collection of graphical and numerical tools for simulating the dynamics of chemical reaction systems and analyzing simulated time series.The SimCat tool provides a tutorial-based walkthrough of the many features in the SC_tools package.
The ability to confirm the identity of unknown molecules is vital to modern drug discovery. Although some database searching tools will offer this capability, the most powerful way to confidently recognize an unknown compound is to generate its 3D structure by comparing homologues to this compound. By comparing a known 3D structure of a homologue to the molecular conformation of the unknown compound, it is possible to confidently identify the functional group responsible for a potentially similar structure. This section contains the molfile for the MD17 dataset, which is developed as described in the previous section, but showing the molecular figure upon which the blind prediction was conducted. d2c66b5586