VCell National Resource for Cell Analysis and Modeling Service, Outreach, Training and Dissemination Ann Cowan VCell National Resource for Cell Analysis and Modeling Service In one month (Oct) there were: 176 different users logged in 439 applications (within 375 Biomodels) and 15 Mathmodels saved 425 simulation runs saved In the past 6 months there have been: 997 different users logged in 2,810 applications (within 1,437 Biomodels) and 103 Mathmodels saved 4,226 simulation runs saved VCell National Resource for Cell Analysis and Modeling Service Nov 2015 Dec 2014 Total Registered VCell Users Users Who Ran Simulations Currently Stored Models Currently Stored Simulations Publicly Available Models Publicly Available Simulations 18,833 5,051 69,647 420,802 849 6,166 18,038 4,651 65,412 390,835 791 5,799 diff 795 400 4,235 29,967 58 367 % increase 4 9 6 8 7 6 VCell National Resource for Cell Analysis and Modeling Service VCell National Resource for Cell Analysis and Modeling Service VCell Published VCell Models (2012 – 2015): National Resource for Cell Analysis and Modeling 39 Published VCell Models 2015 1. 2. 3. 4. 5. 6. 7. 8. 9. 10. 11. 12. Boras, B.W., S.P. Hirakis, L.W. Votapka, R.D. Malmstrom, R.E. Amaro, and A.D. McCulloch. 2015. Bridging scales through multiscale modeling: a case study on protein kinase A. Front Physiol. 6:250 PMC4563169. Ibrahim, B. 2015. In silico spatial simulations reveal that MCC formation and excess BubR1 are required for tight inhibition of the anaphase-promoting complex. Mol Biosyst. 11:2867-2877. Ibrahim, B. 2015. Spindle assembly checkpoint is sufficient for complete Cdc20 sequestering in mitotic control. Comput Struct Biotechnol J. 13:320-328 PMC4430708. Rezgui, A., M. Madec, C. Lallement, and J. Haiech. 2015. Integration of SBML models for the description of biological system in a lab-onchip. In Mixed Design of Integrated Circuits & Systems (MIXDES), 2015 22nd International Conference. IEEE. 165-170. Wu, F., B.G. van Schie, J.E. Keymer, and C. Dekker. 2015. Symmetry and scale orient Min protein patterns in shaped bacterial sculptures. Nat Nanotechnol. 10:719-726.Brown, S.A., L.D. McCullough, and L.M. Loew. 2015. Computational neurobiology is a useful tool in translational neurology: the example of ataxia. Frontiers in neuroscience. 9:1 PMC 4300942. Karttunen, J., S. Mantynen, T.O. Ihalainen, J.K. Bamford, and H.M. Oksanen. 2015. Non-structural proteins P17 and P33 are involved in the assembly of the internal membrane-containing virus PRD1. Virology. 482:225-233. Li, L., N. Gervasi, and J.A. Girault. 2015. Dendritic geometry shapes neuronal cAMP signalling to the nucleus. Nature Communications. 6:6319. Rigatti, M., A.V. Le, C. Gerber, Moraru, II, and K.L. Dodge-Kafka. 2015. Phosphorylation state-dependent interaction between AKAP7delta/gamma and phospholamban increases phospholamban phosphorylation. Cellular Signalling. 27:1807-1815. Timofeeva, Y., and K.E. Volynski. 2015. Calmodulin as a major calcium buffer shaping vesicular release and short-term synaptic plasticity: facilitation through buffer dislocation. Frontiers in cellular neuroscience. 9:239 PMC 4486835. Wragg, R.T., G. Gouzer, J. Bai, G. Arianna, T.A. Ryan, and J.S. Dittman. 2015. Synaptic activity regulates the abundance and binding of complexin. Biophys J. 108:1318-1329 PMC 4375453. Zakharova, N.V., E.O. Artemenko, N.A. Podoplelova, A.N. Sveshnikova, I.A. Demina, F.I. Ataullakhanov, and M.A. Panteleev. 2015. Platelet Surface-Associated Activation and Secretion-Mediated Inhibition of Coagulation Factor XII. PLoS One. 10:e0116665 PMC 4331558. VCell National Resource for Cell Analysis and Modeling Service VCell Software Releases • VCell 5.3 deployed to release site. - June 6, 2015 – New topology with relaxed constraints – New units (each model has own unit system – for SBML import) – Improved data analysis in spatial models • VCell 6.0 alpha – releasing soon to beta site VCell National Resource for Cell Analysis and Modeling Service VCell Software Releases • VCell 5.3 deployed to release site. - June 6, 2015 • VCell 6.0 alpha – releasing soon to beta – – – – – – New Rule-Based integration/GUI for model development Nfsim non-spatial stochastic network-free solver EBChombo solver for local mesh refinement, with parallel capabilities VisIt-based visualization for viewing results Event description simplified in BioModel interface VCellAPI (allows plugins) VCell National Resource for Cell Analysis and Modeling Outreach VCell Website Redesign VCell National Resource for Cell Analysis and Modeling Outreach User Outreach/Feedback VCell National Resource for Cell Analysis and Modeling Training New tutorial format VCell National Resource for Cell Analysis and Modeling Training VCellEducation on YouTube VCell National Resource for Cell Analysis and Modeling Training Courses and Workshops 2015 VCell Short Course June 22-24; 11 participants from 9 institutions. 2015 VCell course VCell National Resource for Cell Analysis and Modeling Training Courses and Workshops • • 2015 Q-Bio (Blinov) 2015 CSHL meeting: Cellular dynamics & Models (former CCB) March 3-6; ½ day Tutorial (Moraru, Blinov, Loew) VCell National Resource for Cell Analysis and Modeling Training New Developments • NSF REU grant to Laubenbacher — provides undergraduate experiences that include VCell • Applied to host 2017 Q-Bio workshop • Collaboration with Wendell Lim and Bruce Mayer to develop VCell models to accompany second edition of their Cell Signaling textbook. VCell National Resource for Cell Analysis and Modeling Dissemination NRCAM Publications (2012-2015): 34 NRCAM Publications 2015: 1. Brown, S.A., L.D. McCullough, and L.M. Loew. 2015. Computational neurobiology is a useful tool in translational neurology: the example of ataxia. Frontiers in neuroscience. 9:1 PMC 4300942. 2. Hucka, M., F.T. Bergmann, A. Drager, S. Hoops, S.M. Keating, N. Le Novere, C.J. Myers, B.G. Olivier, S. Sahle, J.C. Schaff, L.P. Smith, D. Waltemath, and D.J. Wilkinson. 2015. Systems Biology Markup Language (SBML) Level 2 Version 5: Structures and Facilities for Model Definitions. J Integr Bioinform. 12:271. 3. Hucka, M., F.T. Bergmann, S. Hoops, S.M. Keating, S. Sahle, J.C. Schaff, L.P. Smith, and D.J. Wilkinson. 2015. The Systems Biology Markup Language (SBML): Language Specification for Level 3 Version 1 Core. J Integr Bioinform. 12:266. VCell National Resource for Cell Analysis and Modeling Dissemination Undergraduate/graduate courses that use VCell: Colgate University: Biol 334/Math334 Systems Biology - Ahmet Ay Carnegie Melon:Robert Murphy (and online with CourseHero.com) Fred Hutchinson Cancer Research Center: Introduction to Biological Modeling - Steve Andrews Mount Sinai: Dynamical Modeling Methods for Systems Biology -Eric Sobie (and online with Coursera) Univeristy of Illinois: BioE 201 Conservation Principles on Bioengineering - Imoukhuede UC Davis: Biological Sciences 20Q - Modeling in Biology – Mogilner UCSD: BENG/CHEM/PHARM 276 Numerical Analysis for Multi-Scale Biology - McCulloch, McCammon Cornell University minicourse: Molecular Switches in Signaling and Disease (2013) University of Leiden: Mathematical Biology: the Virtual Cell Universitat Duisburg-Essen Introduction to systems biology: modeling and simulation IIT Madras : Online course BE306: don’t know where, public models in VCell UCHC courses: Introduction to Systems Biology, Cell Biology, Biochem II, Practical Microscopy and Modeling