NBCR SUMMER INSTITUTE: CYBERINFRASTRUCTURE AND MULTISCALE MODELING APPROACHES

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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. The 5th NBCR Summer Institute (SI 2010) 2  6 August 2010 The National Biomedical Computation Resource (NBCR) will hold its 5th Summer Institute (SI) the week of August 2  6 2010, in La Jolla, California, on the campuses of the University of California San Diego (UCSD) and The Scripps Research Institute (TSRI). The goal of this fifth NBCR SI is to provide significant training opportunities for members of the biomedical research community in targeted areas of computational multiscale biomedical research: computer aided drug discovery; mesoscale modeling; and computational cardiac electrophysiology and mechanics. Training will include hands-on use of key NBCR tools that are freely available to the academic community. For NBCR a positive outcome of the workshop will be the creation of new users of these tools. In particular, there will be opportunities for participants to work with their own data and analyses in extended sessions. In addition to training, students will be able to hear talks in a Computational Science Seminar Series (CS3) on new directions under the theme of Challenges in Multiscale Computational Modeling, from cutting edge research undertaken by users and collaborators of the NBCR resource. This year's workshop will have four major activities + In-depth, Hands-on Training sessions in key areas of multiscale biomedical research (see list of "tracks" below). + Plenary CS3 Talks on Challenges in Multiscale Computational Modeling + Special Topics on Emerging Technologies in Multiscale Modeling, including special mini-talks or tutorials for innovative software and algorithms for Multiscale Modeling to be available in the near future. + Poster session by participants, to allow NBCR instructors and researchers to interact with the participants and to explore new opportunities for collaboration or user needs. For further information, please send an e-mail to nbcrsi2010@googlegroups.com, or go to the website http://si.nbcr.net for more information. Overview of SI 2010 Program, Monday  Friday, 2  6 August 2010* Tutorial Tracks (morning) + Computational Cardiac Electrophysiology and Mechanics. Tutorials on use of Continuity 6.3 by NBCR (http://www.continuity.ucsd.edu/Continuity). Chair: Prof. Andrew McCulloch, UCSD. + Molecular Electrostatics and Diffusions. Tutorials on use of Adaptive Poisson Boltzmann Solvers (APBS, http://www.poissonboltzmann.org/apbs/) and BrownDye (http://browndye.ucsd.edu/browndye/doc/manual.html). Chair: Prof. J. Andrew McCammon, UCSD. + Programming Scalable Scientific Workflows. Tutorials on Vision (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools). Application of the Vision Workflow environment. Chair: Prof. Michel Sanner, TSRI. Tutorial Tracks (afternoon*) + Virtual Screening and Computer Aided Drug Discovery (CADD). Tutorials on use of AutoDock and AutoDock Tools (http://mgltools.scripps.edu/) and a cloud computing based virtual screening pipeline for CADD Pipeline. Chair: Prof. Arthur Olson, TSRI. + From Cluster to Cloud Computing. Tutorials on Opal (http://www.nbcr.net/software/opal/), Rocks (http://www.rocksclusters.org/wordpress/), along with virtualization and running inside Amazon's EC2 platform. Chair: Peter W. Arzberger, Ph.D., UCSD. + Special Topics on Emerging Technologies in Multiscale Modeling. Minitalks and/or Tutorials on emerging software and novel algorithms in multiscale modeling. Chair: Prof. Michael Holst, UCSD. CS3: Challenges in Multiscale Computational Modeling (noon-time) + Invited speakers to discuss cutting edge research and how to address Challenges in multiscale computational modeling, with an emphasis in bridging scales and on the mesoscale. Special Sessions (afternoon*) + Each morning track may schedule labs to allow the students to gain additional experience with specific tools or to work on their own problems. Posters Session + There will be a poster session offered for participants, to allow greater interaction with NBCR researchers and networking with other Summer Institute participants. The best poster prizes will be selected by the SI 2010 program committee members. * There will be afternoon sessions only on Monday  Thursday. There will be no afternoon session on Friday 6 August. Key Information on the NBCR SI Who should attend: The workshop is aimed at graduate students, postdocs and researchers interested in learning how to use specific tools covered by this summer institute or who are interested in understanding specific examples of computational approaches to multiscale biomedical research.