Research output per year
Research output per year
Personal profile
Research interests
Expert in atomic simulations of protein dynamics and X-ray diffraction data. Currently focused on diffuse X-ray scattering from protein crystals, quantum molecular-dynamics simulations of proteins, and high-performance computing.
Education/Academic qualification
Physics, PHD, Princeton University
Award Date: Dec 1 1995
Fingerprint
Dive into the research topics where Michael E Wall, is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
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Accelerating x-ray tracing for exascale systems using Kokkos
Wittwer, F., Sauter, N. K., Mendez, D., Poon, B. K., Brewster, A. S., Holton, J. M., Wall, M. E., Hart, W. E., Bard, D. J. & Blaschke, J. P., Feb 29 2024, In: Concurrency Computation Practice and Experience. 36, 5, e7944.Research output: Contribution to journal › Article › peer-review
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Graph-based quantum response theory and shadow Born-Oppenheimer molecular dynamics
Negre, C. F. A., Wall, M. E. & Niklasson, A. M. N., Feb 21 2023, In: Journal of Chemical Physics. 158, 7, 074108.Research output: Contribution to journal › Article › peer-review
Open Access3 Scopus citations -
Interpreting macromolecular diffraction through simulation
Young, I. D., Mendez, D., Poon, B. K., Blaschke, J. P., Wittwer, F., Wall, M. E. & Sauter, N. K., Jan 2023, Crystallography of Protein Dynamics. Ando, N. (ed.). Unknown Publisher, p. 195-222 28 p. (Methods in Enzymology; vol. 688).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
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Molecular-dynamics simulation methods for macromolecular crystallography
Wych, D. C., Aoto, P. C., Vu, L., Wolff, A. M., Mobley, D. L., Fraser, J. S., Taylor, S. S. & Wall, M. E., Jan 1 2023, In: Acta Crystallographica Section D: Structural Biology. 79, p. 50-65 16 p.Research output: Contribution to journal › Article › peer-review
Open Access9 Scopus citations -
Molecular-dynamics simulations of macromolecular diffraction, part I: Preparation of protein crystal simulations
Wych, D. C. & Wall, M. E., Jan 2023, Crystallography of Protein Dynamics. Ando, N. (ed.). Unknown Publisher, p. 87-114 28 p. (Methods in Enzymology; vol. 688).Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
1 Scopus citations
Projects
- 12 Finished
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Next Generation Quantum Molecular Dynamics
Mohd-Yusof, J., Niklasson, A. M., Cawkwell, M. J., Germann, T. C., Aradi, B., Frauenheim, T., Jakubikova, E., Kaxiras, E., Mrovec, M., Newsome, D., Reed, E., Rubensson, E. H., Tymczak, C. J., Andersson, A. D. R., Djidjev, H. N., Martinez Saez, E., Mniszewski, S. M., Swart, P. J., Voter, A. F., Yang, P. & Wall, M. E.
10/1/13 → 09/30/16
Project: Other
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Combating Antibiotic Resistance: Targeting Efflux Pump Systems at Multiple Scales
Ganguly, K., Hung, L., Gnanakaran, S., Terwilliger, T. C., Murakami, S., Pos, M., Schweizer, H., elen, H., Alexandrov, B., Dimitrijevic, M., Garcia, M., Gupta, G., Kim, C. Y., Kim, H., Lopez Bautista, C. A., Mcmahon, B. H., Pardington, P. E., Shaya, D., Waldo, G. S., Wren, M. S. & Wall, M. E.
10/1/13 → 09/30/16
Project: Other
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Defeating Bacterial Multi-Drug Resistance: An Experimentally Driven Multi-Scale Study of Efflux Machinery
Ganguly, K., Hung, L., Gnanakaran, S., Terwilliger, T. C., Gupta, G., Kim, C. Y., Mcmahon, B. H., Waldo, G. S. & Wall, M. E.
10/1/12 → 09/30/13
Project: Other
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Phylogenetic Classification and Analysis of Computer Malware
Wall, M. E., Yan, G., Brown, N., Quist, D., Bhattacharya, T. & Brown, N. D.
10/1/11 → 09/30/14
Project: Other
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Accelerating Materials Certification
Wall, M. E., Sarrao, J. L., Chung, K., Hawley, M. E., Mosbrucker, P., Rudin, S. P., Tang, M., Hosemann, P., Lee, H., Rollett, A., Trautmann, C., Winkler, B., Addessio, F. L., Balatsky, A. V., Bolme, C. A., Graves, T. L., Holesinger, T. G., Lookman, T., Rodriguez, G., Scovel, J. C., Serrano de Caro, M., Taylor, A. J., Valone, S. M., Won, J., Yarotski, D. A. & Wang, Y.
03/14/11 → 09/30/11
Project: Other
Press/Media
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Special issue paper reviews CoPA particle application advancements
Susan M Mniszewski, Michael E Wall,, Adetokunbo Adedoyin, Christoph Junghans,, Jamaludin Mohd-Yusof,, Robert Francis Bird, Guangye Chen, Christian Francisco Andres Negre & Shane Patrick Fogerty
10/1/21
1 item of Media coverage
Press/Media: STE Highlight
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Combining graph and quantum theories to calculate electronic structure of systems
Susan M Mniszewski, Hristo Djidjev, Michael E Wall,, Nicolas Bock, Jamaludin Mohd-Yusof,, Marc Jon Cawkwell, Timothy Clark Germann,, Christian Francisco Andres Negre, Anders Mauritz Niklasson & Pieter J. Swart
05/31/17
1 item of Media coverage
Press/Media: STE Highlight