Zobrazeno 1 - 10
of 406
pro vyhledávání: '"Sauter, Nicholas K"'
The Computational Crystallography Toolbox (CCTBX) is open-source software that allows for processing of crystallographic data, including from serial femtosecond crystallography (SFX), for macromolecular structure determination. We aim to use the modu
Externí odkaz:
http://arxiv.org/abs/2307.01901
We introduce a new Bravais lattice determination algorithm. SELLA is a straight-forward algorithm and a program for determining Bravais lattice type based on Selling (Delone) reduction. It is a complete, closed solution, and it provides a clear metri
Externí odkaz:
http://arxiv.org/abs/2303.03122
Autor:
Wittwer, Felix, Sauter, Nicholas K., Mendez, Derek, Poon, Billy K., Brewster, Aaron S., Holton, James M., Wall, Michael E., Hart, William E., Bard, Deborah J., Blaschke, Johannes P.
The upcoming exascale computing systems Frontier and Aurora will draw much of their computing power from GPU accelerators. The hardware for these systems will be provided by AMD and Intel, respectively, each supporting their own GPU programming model
Externí odkaz:
http://arxiv.org/abs/2205.07976
Autor:
Blaschke, Johannes P., Brewster, Aaron S., Paley, Daniel W., Mendez, Derek, Bhowmick, Asmit, Sauter, Nicholas K., Kröger, Wilko, Shankar, Murali, Enders, Bjoern, Bard, Deborah
X-ray scattering experiments using Free Electron Lasers (XFELs) are a powerful tool to determine the molecular structure and function of unknown samples (such as COVID-19 viral proteins). XFEL experiments are a challenge to computing in two ways: i)
Externí odkaz:
http://arxiv.org/abs/2106.11469
Akademický článek
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Autor:
Ibrahim, Mohamed, Moriarty, Nigel W., Kern, Jan, Holton, James M., Brewster, Aaron S., Bhowmick, Asmit, Bergmann, Uwe, Zouni, Athina, Messinger, Johannes, Yachandra, Vittal K., Yano, Junko, Dobbek, Holger, Sauter, Nicholas K., Adams, Paul D.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2021 Jun . 118(24), 1-3.
Externí odkaz:
https://www.jstor.org/stable/27040672
Autor:
Ohmer, Christopher J., Dasgupta, Medhanjali, Patwardhan, Anjali, Bogacz, Isabel, Kaminsky, Corey, Doyle, Margaret D., Chen, Percival Yang-Ting, Keable, Stephen M., Makita, Hiroki, Simon, Philipp S., Massad, Ramzi, Fransson, Thomas, Chatterjee, Ruchira, Bhowmick, Asmit, Paley, Daniel W., Moriarty, Nigel W., Brewster, Aaron S., Gee, Leland B., Alonso-Mori, Roberto, Moss, Frank, Fuller, Franklin D., Batyuk, Alexander, Sauter, Nicholas K., Bergmann, Uwe, Drennan, Catherine L., Yachandra, Vittal K., Yano, Junko, Kern, Jan F., Ragsdale, Stephen W.
Publikováno v:
In Journal of Inorganic Biochemistry May 2022 230
Akademický článek
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Autor:
Ibrahim, Mohamed, Fransson, Thomas, Chatterjee, Ruchira, Cheah, Mun Hon, Hussein, Rana, Lassalle, Louise, Sutherlin, Kyle D., Young, Iris D., Fuller, Franklin D., Gul, Sheraz, Kim, In-Sik, Simon, Philipp S., de Lichtenberg, Casper, Chernev, Petko, Bogacz, Isabel, Pham, Cindy C., Orville, Allen M., Saichek, Nicholas, Northen, Trent, Batyuk, Alexander, Carbajo, Sergio, Alonso-Mori, Roberto, Tono, Kensuke, Owada, Shigeki, Bhowmick, Asmit, Bolotovsky, Robert, Mendez, Derek, Moriarty, Nigel W., Holton, James M., Dobbek, Holger, Brewster, Aaron S., Adams, Paul D., Sauter, Nicholas K., Bergmann, Uwe, Zouni, Athina, Messinger, Johannes, Kern, Jan, Yachandra, Vittal K., Yano, Junko
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2020 Jun 01. 117(23), 12624-12635.
Externí odkaz:
https://www.jstor.org/stable/26968303
Autor:
Burgie, E. Sethe, Clinger, Jonathan A., Miller, Mitchell D., Brewster, Aaron S., Aller, Pierre, Butryn, Agata, Fuller, Franklin D., Gul, Sheraz, Young, Iris D., Pham, Cindy C., Kim, In-Sik, Bhowmick, Asmit, O’Riordan, Lee J., Sutherlin, Kyle D., Heinemann, Joshua V., Batyuk, Alexander, Alonso-Mori, Roberto, Hunter, Mark S., Koglin, Jason E., Yano, Junko, Yachandra, Vittal K., Sauter, Nicholas K., Cohen, Aina E., Kern, Jan, Orville, Allen M., Phillips, George N., Vierstra, Richard D.
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2020 Jan 01. 117(1), 300-307.
Externí odkaz:
https://www.jstor.org/stable/26897466