The dissemination efforts of the Center have been tremendously successful over the last funding period. In the next funding period, the Center will continue its existing strategy, as laid out in Approach, while introducing innovative additions to enhance the effectiveness of its dissemination efforts. The Center employs ten different dissemination channels - the Center's website, software downloads, flexible licensing, research publications, lectures and poster presentations, tutorials and case studies, image and movie downloads, brochures, media coverage, and streaming multimedia projects. Over the last funding period, the website received a huge volume of traffic, serving over 1.4 million visitors, with 12.6 million page views, representing 28 terabytes of data transferred; few departments on our campus have busier websites. The website features rich content including, for example, 68 research highlights posted over the last funding period with links to movies, research pages and publications; another example is a series of 11 editorials of altogether 210 printed pages that cover key issues in molecular modeling and have had a deep impact on readers. A significant portion of the Center's dissemination efforts are dedicated to lowering barriers to learning of the Center's main software programs VMD and NAMD. To date, a total of 45 tutorials of altogether about 1,460 printed pages are available and have been viewed 228,000 times over the last funding period. User surveys of VMD and NAMD performed by the Center in 2016 indicated that 70% of respondents agree that the respective program is user-friendly. The Center has also been actively disseminating its research, producing 424 publications over the last funding period and giving 509 lectures and presentations at workshops and conferences. In the public sphere, the Center has continued to enjoy high publicity during the last funding period, through 111 instances of media coverage and science movies uploaded to its YouTube channel, which garnered 118,000 views. Images and movies on the Center's website have likewise been popular, attracting 25,000 downloads. Finally, new brochures have been printed to advertise the Center's revolutionary molecular dynamics program QwikMD. The Center has completed development of tools to create virtual reality (VR) visualizations of atomic level cellular structures made available already on YouTube by means of omnidirectional VR glasses such as Google Cardboard for smartphones, Oculus Rift and Samsung Gear VR. The Center is also participating, under the Centrality of Advanced Digitally Enabled Science (CADENS) supported by NSF, in the production of a documentary on computational and data-enabled discoveries in science. The Center's documentary, entitled ?Birth of Planet Earth?, will feature advanced digital visualizations of scientific data and will be screened to a wide public audience as ultra-high-resolution fulldome films in museums, planetariums and science centers, as well as high-definition television programs on Hulu, Amazon, PBS, and NSF online television.
| Hemmig, Elisa A; Fitzgerald, Clare; Maffeo, Christopher et al. (2018) Optical Voltage Sensing Using DNA Origami. Nano Lett 18:1962-1971 |
| Denisov, Ilia G; Baylon, Javier L; Grinkova, Yelena V et al. (2018) Drug-Drug Interactions between Atorvastatin and Dronedarone Mediated by Monomeric CYP3A4. Biochemistry 57:805-816 |
| Shi, Xin; Li, Qiao; Gao, Rui et al. (2018) Dynamics of a Molecular Plug Docked onto a Solid-State Nanopore. J Phys Chem Lett 9:4686-4694 |
| Earnest, Tyler M; Cole, John A; Luthey-Schulten, Zaida (2018) Simulating biological processes: stochastic physics from whole cells to colonies. Rep Prog Phys 81:052601 |
| Benson, Christopher R; Maffeo, Christopher; Fatila, Elisabeth M et al. (2018) Inchworm movement of two rings switching onto a thread by biased Brownian diffusion represent a three-body problem. Proc Natl Acad Sci U S A 115:9391-9396 |
| Mahinthichaichan, Paween; Gennis, Robert B; Tajkhorshid, Emad (2018) Bacterial denitrifying nitric oxide reductases and aerobic respiratory terminal oxidases use similar delivery pathways for their molecular substrates. Biochim Biophys Acta Bioenerg 1859:712-724 |
| Jiang, Wei; Thirman, Jonathan; Jo, Sunhwan et al. (2018) Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis. J Phys Chem B 122:9435-9442 |
| Winogradoff, David; Aksimentiev, Aleksei (2018) Molecular Mechanism of Spontaneous Nucleosome Unraveling. J Mol Biol : |
| Milles, Lukas F; Schulten, Klaus; Gaub, Hermann E et al. (2018) Molecular mechanism of extreme mechanostability in a pathogen adhesin. Science 359:1527-1533 |
| Carnevale, Lauren N; Arango, Andres S; Arnold, William R et al. (2018) Endocannabinoid Virodhamine Is an Endogenous Inhibitor of Human Cardiovascular CYP2J2 Epoxygenase. Biochemistry 57:6489-6499 |
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