DUE TO INSTRUMENTATION PROBLEMS AND ONGOING RESEARCH INTO SOFTWARE UPDATES, MOLECULAR MODELING CORE SERVICES ARE TEMPORARILY UNAVAILABLE (NOVEMBER 2004)

The Section of  Research Resources provides access to InSight II Molecular Modeling software, running on a Silicon Graphics O2 workstation. We are currently licensed for the basic InsightII programs, as well as the Biopolymer and Discover modules from Molecular Simulations Incorporated. Additional information about these programs, as well as other modules that might be of interest to investigators and a schedule of training sessions for use of the software, can be found at the Molecular Simulations WEB page at http://www.msi.com . Among other uses, the modules we currently are licensed for can be used for searching, downloading, examining and analyzing known macromolecular structures (e.g., protein structures from the Brookhaven PDB database), and the docking software can be used to examine potential protein-ligand interactions and to design and test potential inhibitors. The software can also produce high resolution images for publication, including difference spectra for comparison of different structures, electrostatic surface representations of macromolecules, and a variety of representations of all or part of a structure (ribbon diagrams, ball-and-stick models, cartoon helix/sheet representations, etc.). Tutorials are included in the software documentation.

When using data or tools generated here in publications or grants, please cite "The Molecular Modeling Core Facility of the Section of Research Resources, Penn State College of Medicine".

Please also let us know about publications or grant applications that make use of the services of this facility.