The user community for SIMTK is large. The DBPs during our first five years demonstrate the breadth of problems for which physics-based modeling and simulation are critical. The RNA folding and protein folding/misfolding DBPs included structural biologists, physical chemists, physicists, molecular biologists, physicians and biochemists. The myosin dynamics DBP included biochemists, biomechanical engineers, geneticists, chemists, biophysicists, and structural biologists. The neuromuscular dynamics DBP included orthopedic surgeons, biomechanical engineers, neurologists, and physical therapists. The cardiovascular fluid dynamics DBP included vascular surgeons, cardiologists, vascular biologists, and bioengineers. The three new DBPs, summarized under Core 2 similarly engage a broad spectrum of scientists, including structural biologists, neurologists, electrical engineers, biochemists, pharmaceutical chemists, physicians, computer scientists and biomedical engineers. These users will again provide appropriate """"""""pull"""""""" on SIMTK to ensure that it has relevant and useful capabilities. We have disseminated the fruits of Simbios research and development through traditional publications (over 150 papers), presentations at conferences, workshops, and via the materials on our website.

National Institute of Health (NIH)
National Institute of General Medical Sciences (NIGMS)
Specialized Center--Cooperative Agreements (U54)
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Special Emphasis Panel (ZRG1-BST-K)
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Stanford University
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Seth, Ajay; Hicks, Jennifer L; Uchida, Thomas K et al. (2018) OpenSim: Simulating musculoskeletal dynamics and neuromuscular control to study human and animal movement. PLoS Comput Biol 14:e1006223
Liu, Tianyun; Ish-Shalom, Shirbi; Torng, Wen et al. (2018) Biological and functional relevance of CASP predictions. Proteins 86 Suppl 1:374-386
Rojas, Enrique R; Billings, Gabriel; Odermatt, Pascal D et al. (2018) The outer membrane is an essential load-bearing element in Gram-negative bacteria. Nature 559:617-621
DeMers, Matthew S; Hicks, Jennifer L; Delp, Scott L (2017) Preparatory co-activation of the ankle muscles may prevent ankle inversion injuries. J Biomech 52:17-23
Rojas, Enrique R; Huang, Kerwyn Casey; Theriot, Julie A (2017) Homeostatic Cell Growth Is Accomplished Mechanically through Membrane Tension Inhibition of Cell-Wall Synthesis. Cell Syst 5:578-590.e6
Budday, S; Sommer, G; Birkl, C et al. (2017) Mechanical characterization of human brain tissue. Acta Biomater 48:319-340
Shukla, Diwakar; Peck, Ariana; Pande, Vijay S (2016) Conformational heterogeneity of the calmodulin binding interface. Nat Commun 7:10910
Rajagopal, Apoorva; Dembia, Christopher L; DeMers, Matthew S et al. (2016) Full-Body Musculoskeletal Model for Muscle-Driven Simulation of Human Gait. IEEE Trans Biomed Eng 63:2068-79
Araya, Carlos L; Cenik, Can; Reuter, Jason A et al. (2016) Identification of significantly mutated regions across cancer types highlights a rich landscape of functional molecular alterations. Nat Genet 48:117-25
Meng, Yilin; Shukla, Diwakar; Pande, Vijay S et al. (2016) Transition path theory analysis of c-Src kinase activation. Proc Natl Acad Sci U S A 113:9193-8

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