The dissemination e?orts 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 e?ectiveness of its dissemination e?orts. The Center employs ten di?erent dissemination channels - the Center's website, software downloads, ?exible 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 tra?c, 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 signi?cant portion of the Center's dissemination e?orts 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 Cen- trality 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 scienti?c data and will be screened to a wide public audience as ultra-high-resolution fulldome ?lms in museums, planetariums and science centers, as well as high-de?nition television programs on Hulu, Amazon, PBS, and NSF online television.
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| Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc et al. (2018) PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations. Biophys J 114:577-583 |
| Sun, Chang; Benlekbir, Samir; Venkatakrishnan, Padmaja et al. (2018) Structure of the alternative complex III in a supercomplex with cytochrome oxidase. Nature 557:123-126 |
| Speltz, Thomas E; Mayne, Christopher G; Fanning, Sean W et al. (2018) A ""cross-stitched"" peptide with improved helicity and proteolytic stability. Org Biomol Chem 16:3702-3706 |
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| Mahinthichaichan, Paween; Gennis, Robert B; Tajkhorshid, Emad (2018) Cytochrome aa3 Oxygen Reductase Utilizes the Tunnel Observed in the Crystal Structures To Deliver O2 for Catalysis. Biochemistry 57:2150-2161 |
| Wen, Po-Chao; Mahinthichaichan, Paween; Trebesch, Noah et al. (2018) Microscopic view of lipids and their diverse biological functions. Curr Opin Struct Biol 51:177-186 |
| Barrick, Samantha; Li, Jing; Kong, Xinyu et al. (2018) Salt bridges gate ?-catenin activation at intercellular junctions. Mol Biol Cell 29:111-122 |
| Yoo, Jejoong; Aksimentiev, Aleksei (2018) New tricks for old dogs: improving the accuracy of biomolecular force fields by pair-specific corrections to non-bonded interactions. Phys Chem Chem Phys 20:8432-8449 |
| Cassidy, C Keith; Himes, Benjamin A; Luthey-Schulten, Zaida et al. (2018) CryoEM-based hybrid modeling approaches for structure determination. Curr Opin Microbiol 43:14-23 |
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