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.

National Institute of Health (NIH)
National Institute of General Medical Sciences (NIGMS)
Biotechnology Resource Grants (P41)
Project #
Application #
Study Section
Special Emphasis Panel (ZRG1)
Project Start
Project End
Budget Start
Budget End
Support Year
Fiscal Year
Total Cost
Indirect Cost
University of Illinois Urbana-Champaign
United States
Zip Code
Mahinthichaichan, Paween; Morris, Dylan M; Wang, Yi et al. (2018) Selective Permeability of Carboxysome Shell Pores to Anionic Molecules. J Phys Chem B 122:9110-9118
Kerr, Daniel; Tietjen, Gregory T; Gong, Zhiliang et al. (2018) Sensitivity of peripheral membrane proteins to the membrane context: A case study of phosphatidylserine and the TIM proteins. Biochim Biophys Acta Biomembr 1860:2126-2133
Ohmann, Alexander; Li, Chen-Yu; Maffeo, Christopher et al. (2018) A synthetic enzyme built from DNA flips 107 lipids per second in biological membranes. Nat Commun 9:2426
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
Ma, Wen; Whitley, Kevin D; Chemla, Yann R et al. (2018) Free-energy simulations reveal molecular mechanism for functional switch of a DNA helicase. Elife 7:
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

Showing the most recent 10 out of 214 publications