BIOMOLECULAR INTERACTION AND GENE NETWORK SIMULATIONS

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. In the current proposal, we are requesting resources to continue working on two different projects. 1. Insights into the mechanism of action of antimicrobial peptides from molecular dynamics simulations. This is a continuation of proposed work awarded with AAB resources in 2003, and NRAC/TRAC resources in 2004, 2005, 2006, 2007, 2008 and 2009. The work completed to date has resulted in the PI being awarded an NIH R01 grant (R01GM070989, title: Computational Modeling and Design of Antimicrobial Peptides), which continues to support our work. We describe simulation efforts that we hope to pursue in the coming year. 2. Design and simulations of artificial gene networks. This is a continuation of proposed work awarded with NRAC/TRAC resources in 2004, 2005, 2006, 2007, 2008 and 2009. Work in this area was originally funded by a regular NSF grant (BES-0425882, title: Multiscale Modeling of Gene Regulatory Network) and is currently being supported by an NSF CAREER award (# 0644792) to YNK and a NIH R01 grant (1R01GM086865-01A2).